CID 22992894

3,3-dimethylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

CC1(CCCC(C1)C#N)C

InChI

InChI=1S/C9H15N/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-6H2,1-2H3

InChIKey

FARIATAEMGAUQH-UHFFFAOYSA-N

Compound name

3,3-dimethylcyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 137.12045 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	138.12773	130.7
[M+Na]+	160.10967	141.8
[M+NH4]+	155.15427	138.1
[M+K]+	176.08361	130.6
[M-H]-	136.11317	126.1
[M+Na-2H]-	158.09512	135.4
[M]+	137.11990	130.3
[M]-	137.12100	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe