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Molecule record

2-methylhexanenitrile

C7H13N

111.19 g/mol

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Molecular properties

Formula
C7H13N
Molar mass
111.19 g·mol−1
Exact mass
111.1048 Da
2
PubChem CID
11194307

Functional groups

Alkane / alkyl carbon
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2-Methylcapronitrile
  • 20654-42-6
  • AKOS006280243
  • DTXCID60409050
  • DTXSID70458231
  • EN300-1847979
  • Hexanenitrile, 2-methyl
  • PZYFAYMXLISRGL-UHFFFAOYSA-N
Show all 15 synonyms
  • RefChem:1063832
  • SCHEMBL1343853
  • SCHEMBL2539746
  • SCHEMBL325901
  • SCHEMBL8017526
  • SCHEMBL8017940
  • SCHEMBL8018651

Structure identifiers

Canonical SMILES
CCCCC(C)C#N
Isomeric SMILES
CCCCC(C)C#N
InChI
InChI=1S/C7H13N/c1-3-4-5-7(2)6-8/h7H,3-5H2,1-2H3
InChIKey
PZYFAYMXLISRGL-UHFFFAOYSA-N
PubChem CID
11194307

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-methylhexanenitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylhexanenitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record