CID 167735358

N-(thietan-3-yl)methanesulfonamide

Structural Information

Molecular Formula

C₄H₉NO₂S₂

SMILES

CS(=O)(=O)NC1CSC1

InChI

InChI=1S/C4H9NO2S2/c1-9(6,7)5-4-2-8-3-4/h4-5H,2-3H2,1H3

InChIKey

IMOFNIVOVHIYLY-UHFFFAOYSA-N

Compound name

N-(thietan-3-yl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.00748 Da
Monoisotopic Mass: -0.2
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]+	168.01476	125.4
[M+Na]+	189.99670	129.6
[M-H]-	166.00020	127.9
[M+NH4]+	185.04130	138.8
[M+K]+	205.97064	130.3
[M+H-H2O]+	150.00474	113.4
[M+HCOO]-	212.00568	136.6
[M+CH3COO]-	226.02133	178.9
[M+Na-2H]-	187.98215	128.0
[M]+	167.00693	133.8
[M]-	167.00803	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.