CID 76688

Cyclohexanemethylamine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

C1CCC(CC1)CN

InChI

InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2

InChIKey

AVKNGPAMCBSNSO-UHFFFAOYSA-N

Compound name

cyclohexylmethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 18150
Patents: 113.12045 Da
Monoisotopic Mass: 1.7
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]+	114.12773	124.9
[M+Na]+	136.10967	129.1
[M-H]-	112.11317	127.1
[M+NH4]+	131.15427	146.8
[M+K]+	152.08361	128.1
[M+H-H2O]+	96.117710	119.5
[M+HCOO]-	158.11865	146.1
[M+CH3COO]-	172.13430	170.5
[M+Na-2H]-	134.09512	130.4
[M]+	113.11990	117.9
[M]-	113.12100	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe