CID 134185

3-acps

Structural Information

Molecular Formula

C₄H₁₀N₂O₄S

SMILES

C(CS(=O)(=O)N)[C@@H](C(=O)O)N

InChI

InChI=1S/C4H10N2O4S/c5-3(4(7)8)1-2-11(6,9)10/h3H,1-2,5H2,(H,7,8)(H2,6,9,10)/t3-/m0/s1

InChIKey

DBJCKYLNABMIDC-VKHMYHEASA-N

Compound name

(2S)-2-amino-4-sulfamoylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 38
Patents: 182.03613 Da
Monoisotopic Mass: -3.8
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]+	183.043406	135.1
[M+Na]+	205.025348	140.9
[M-H]-	181.028854	133.0
[M+NH4]+	200.069953	153.0
[M+K]+	220.999288	139.4
[M+H-H2O]+	165.033390	129.7
[M+HCOO]-	227.034331	150.8
[M+CH3COO]-	241.049981	178.7
[M+Na-2H]-	203.010796	136.3
[M]+	182.03558142	133.6
[M]-	182.03667858	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe