CID 16785003

92334-10-6

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

CC1CCC(CC1)(C#N)N

InChI

InChI=1S/C8H14N2/c1-7-2-4-8(10,6-9)5-3-7/h7H,2-5,10H2,1H3

InChIKey

FOILTVVMJVTRIH-UHFFFAOYSA-N

Compound name

1-amino-4-methylcyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 138.11569 Da
Monoisotopic Mass: 0.9
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]+	139.12297	130.6
[M+Na]+	161.10491	139.0
[M-H]-	137.10841	133.6
[M+NH4]+	156.14951	151.6
[M+K]+	177.07885	136.1
[M+H-H2O]+	121.11295	119.8
[M+HCOO]-	183.11389	148.4
[M+CH3COO]-	197.12954	188.3
[M+Na-2H]-	159.09036	135.9
[M]+	138.11514	120.5
[M]-	138.11624	120.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe