CID 59710124

1239205-33-4

Structural Information

Molecular Formula

C₄H₁₀N₂O₂S

SMILES

CS(=O)(=O)NC1CNC1

InChI

InChI=1S/C4H10N2O2S/c1-9(7,8)6-4-2-5-3-4/h4-6H,2-3H2,1H3

InChIKey

JHKHDIBLFHELCU-UHFFFAOYSA-N

Compound name

N-(azetidin-3-yl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 150.0463 Da
Monoisotopic Mass: -1.3
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]+	151.053576	126.6
[M+Na]+	173.035518	131.4
[M-H]-	149.039024	127.1
[M+NH4]+	168.080123	139.0
[M+K]+	189.009458	132.8
[M+H-H2O]+	133.043560	114.9
[M+HCOO]-	195.044501	141.1
[M+CH3COO]-	209.060151	174.0
[M+Na-2H]-	171.020966	131.0
[M]+	150.04575142	133.4
[M]-	150.04684858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe