CID 7965

Cyclohexylamine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

C1CCC(CC1)N

InChI

InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2

InChIKey

PAFZNILMFXTMIY-UHFFFAOYSA-N

Compound name

cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1709
References: 76296
Patents: 99.1048 Da
Monoisotopic Mass: 1.5
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]+	100.112076	120.3
[M+Na]+	122.094018	125.0
[M-H]-	98.097524	122.8
[M+NH4]+	117.138623	142.8
[M+K]+	138.067958	124.2
[M+H-H2O]+	82.102060	115.1
[M+HCOO]-	144.103001	141.9
[M+CH3COO]-	158.118651	167.4
[M+Na-2H]-	120.079466	126.4
[M]+	99.10425142	113.0
[M]-	99.10534858	113.0

Literature stripe

literature stripe

Patent stripe

patents stripe