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: 3
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]+	178.089626	137.5
[M+Na]+	200.071568	144.6
[M-H]-	176.075074	140.4
[M+NH4]+	195.116173	161.2
[M+K]+	216.045508	142.8
[M+H-H2O]+	160.079610	133.6
[M+HCOO]-	222.080551	154.7
[M+CH3COO]-	236.096201	176.3
[M+Na-2H]-	198.057016	140.9
[M]+	177.08180142	136.4
[M]-	177.08289858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe