CID 63766018

3-amino-1-(methanesulfonyl)azetidine

Structural Information

Molecular Formula

C₄H₁₀N₂O₂S

SMILES

CS(=O)(=O)N1CC(C1)N

InChI

InChI=1S/C4H10N2O2S/c1-9(7,8)6-2-4(5)3-6/h4H,2-3,5H2,1H3

InChIKey

AUJHZIGJKOITDS-UHFFFAOYSA-N

Compound name

1-methylsulfonylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 150.0463 Da
Monoisotopic Mass: -1.6
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]+	151.05358	126.3
[M+Na]+	173.03552	132.4
[M-H]-	149.03902	128.1
[M+NH4]+	168.08012	139.4
[M+K]+	189.00946	134.2
[M+H-H2O]+	133.04356	114.7
[M+HCOO]-	195.04450	141.6
[M+CH3COO]-	209.06015	177.0
[M+Na-2H]-	171.02097	129.5
[M]+	150.04575	134.3
[M]-	150.04685	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe