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: 121
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]+	151.053576	126.3
[M+Na]+	173.035518	132.4
[M-H]-	149.039024	128.1
[M+NH4]+	168.080123	139.4
[M+K]+	189.009458	134.2
[M+H-H2O]+	133.043560	114.7
[M+HCOO]-	195.044501	141.6
[M+CH3COO]-	209.060151	177.0
[M+Na-2H]-	171.020966	129.5
[M]+	150.04575142	134.3
[M]-	150.04684858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe