CID 533887

2-(aminomethyl)cyclopentanol

Structural Information

Molecular Formula

SMILES

C1CC(C(C1)O)CN

InChI

InChI=1S/C6H13NO/c7-4-5-2-1-3-6(5)8/h5-6,8H,1-4,7H2

InChIKey

VORALDSQPSWPRK-UHFFFAOYSA-N

Compound name

2-(aminomethyl)cyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 115.09972 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]+	116.10700	123.6
[M+Na]+	138.08894	132.1
[M+NH4]+	133.13354	132.3
[M+K]+	154.06288	129.0
[M-H]-	114.09244	124.9
[M+Na-2H]-	136.07439	127.4
[M]+	115.09917	124.8
[M]-	115.10027	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe