CID 23432

2-methylcyclohexylamine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC1CCCCC1N

InChI

InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3

InChIKey

FEUISMYEFPANSS-UHFFFAOYSA-N

Compound name

2-methylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 5732
Patents: 113.12045 Da
Monoisotopic Mass: 1.6
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]+	114.127726	124.6
[M+Na]+	136.109668	129.9
[M-H]-	112.113174	127.3
[M+NH4]+	131.154273	146.9
[M+K]+	152.083608	128.8
[M+H-H2O]+	96.117710	119.5
[M+HCOO]-	158.118651	145.9
[M+CH3COO]-	172.134301	171.6
[M+Na-2H]-	134.095116	129.5
[M]+	113.11990142	118.1
[M]-	113.12099858	118.1

Literature stripe

literature stripe

Patent stripe

patents stripe