CID 45080566

1-azetidinesulfonamide

Structural Information

Molecular Formula

C₃H₈N₂O₂S

SMILES

C1CN(C1)S(=O)(=O)N

InChI

InChI=1S/C3H8N2O2S/c4-8(6,7)5-2-1-3-5/h1-3H2,(H2,4,6,7)

InChIKey

STIUWSWFXIBBKI-UHFFFAOYSA-N

Compound name

azetidine-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 413
Patents: 136.03065 Da
Monoisotopic Mass: -1.0
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]+	137.037926	121.6
[M+Na]+	159.019868	127.2
[M-H]-	135.023374	123.1
[M+NH4]+	154.064473	134.9
[M+K]+	174.993808	129.4
[M+H-H2O]+	119.027910	109.9
[M+HCOO]-	181.028851	137.3
[M+CH3COO]-	195.044501	173.0
[M+Na-2H]-	157.005316	125.9
[M]+	136.03010142	128.8
[M]-	136.03119858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe