CID 20575451

1-ethylcyclohexane-1-carbonitrile

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

CCC1(CCCCC1)C#N

InChI

InChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h2-7H2,1H3

InChIKey

MEHBOHFZFXGIQL-UHFFFAOYSA-N

Compound name

1-ethylcyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 137.12045 Da
Monoisotopic Mass: 2.8
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	132.4
[M+Na]+	160.10967	143.1
[M+NH4]+	155.15427	139.7
[M+K]+	176.08361	131.7
[M-H]-	136.11317	127.7
[M+Na-2H]-	158.09512	137.2
[M]+	137.11990	131.9
[M]-	137.12100	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe