CID 79635

1-aminocyclohexanecarbonitrile

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1CCC(CC1)(C#N)N

InChI

InChI=1S/C7H12N2/c8-6-7(9)4-2-1-3-5-7/h1-5,9H2

InChIKey

HUMMCZRNZCKXHL-UHFFFAOYSA-N

Compound name

1-aminocyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 384
Patents: 124.10005 Da
Monoisotopic Mass: 0.7
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]+	125.107326	127.2
[M+Na]+	147.089268	135.3
[M-H]-	123.092774	130.0
[M+NH4]+	142.133873	148.4
[M+K]+	163.063208	132.4
[M+H-H2O]+	107.097310	116.3
[M+HCOO]-	169.098251	145.3
[M+CH3COO]-	183.113901	184.6
[M+Na-2H]-	145.074716	133.6
[M]+	124.09950142	116.5
[M]-	124.10059858	116.5

Literature stripe

literature stripe

Patent stripe

patents stripe