ChemArche
Sign inAccount

Molecule record

2-methyloctanenitrile

C9H17N

139.24 g/mol

Loading structure

Molecular properties

Formula
C9H17N
Molar mass
139.24 g·mol−1
Exact mass
139.1361 Da
2
PubChem CID
102850

Functional groups

Alkane / alkyl carbon
Nitrile

Physical properties

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

Common names and synonyms

  • 2-methyl-octanenitrile
  • 219-914-8
  • 2570-96-9
  • CAA57096
  • CS-0260222
  • DTXCID701376805
  • DTXSID60948575
  • EINECS 219-914-8
Show all 16 synonyms
  • EN300-747006
  • KOVZMYUXIJOHCD-UHFFFAOYSA-N
  • NS00044828
  • RefChem:88352
  • SCHEMBL2537735
  • SCHEMBL3431541
  • SCHEMBL663207
  • starbld0010916

Structure identifiers

Canonical SMILES
CCCCCCC(C)C#N
Isomeric SMILES
CCCCCCC(C)C#N
InChI
InChI=1S/C9H17N/c1-3-4-5-6-7-9(2)8-10/h9H,3-7H2,1-2H3
InChIKey
KOVZMYUXIJOHCD-UHFFFAOYSA-N
PubChem CID
102850

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-methyloctanenitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methyloctanenitrile; 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