CID 23463686

873537-33-8

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1CC(CCC1C#N)N

InChI

InChI=1S/C7H12N2/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-4,9H2

InChIKey

ITGMTNOYOPHQAE-UHFFFAOYSA-N

Compound name

4-aminocyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 124.10005 Da
Monoisotopic Mass: 0.3
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]+	125.10733	126.2
[M+Na]+	147.08927	134.0
[M-H]-	123.09277	128.9
[M+NH4]+	142.13387	145.8
[M+K]+	163.06321	131.6
[M+H-H2O]+	107.09731	114.7
[M+HCOO]-	169.09825	144.3
[M+CH3COO]-	183.11390	186.0
[M+Na-2H]-	145.07472	131.0
[M]+	124.09950	115.5
[M]-	124.10060	115.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe