CID 14028235

3-amino-n-methanesulfonylpropanamide hydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂O₃S

SMILES

CS(=O)(=O)NC(=O)CCN

InChI

InChI=1S/C4H10N2O3S/c1-10(8,9)6-4(7)2-3-5/h2-3,5H2,1H3,(H,6,7)

InChIKey

ABLNRCAFRRWOLA-UHFFFAOYSA-N

Compound name

3-amino-N-methylsulfonylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 166.04121 Da
Monoisotopic Mass: -1.9
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]+	167.04849	131.9
[M+Na]+	189.03043	138.8
[M-H]-	165.03393	132.0
[M+NH4]+	184.07503	151.8
[M+K]+	205.00437	137.5
[M+H-H2O]+	149.03847	126.6
[M+HCOO]-	211.03941	150.7
[M+CH3COO]-	225.05506	177.9
[M+Na-2H]-	187.01588	135.6
[M]+	166.04066	132.6
[M]-	166.04176	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe