CID 47003544

(1-methanesulfonylcyclopentyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

CS(=O)(=O)C1(CCCC1)CN

InChI

InChI=1S/C7H15NO2S/c1-11(9,10)7(6-8)4-2-3-5-7/h2-6,8H2,1H3

InChIKey

YIHCDJHLBGVHNU-UHFFFAOYSA-N

Compound name

(1-methylsulfonylcyclopentyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 177.08235 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]+	178.08963	138.8
[M+Na]+	200.07157	145.8
[M+NH4]+	195.11617	147.9
[M+K]+	216.04551	139.8
[M-H]-	176.07507	138.8
[M+Na-2H]-	198.05702	143.0
[M]+	177.08180	140.1
[M]-	177.08290	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe