CID 39237378

1158736-03-8

Structural Information

Molecular Formula

C₅H₁₁NO₄S

SMILES

CN(CCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C5H11NO4S/c1-6(11(2,9)10)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)

InChIKey

VEJPQJKBENJNFK-UHFFFAOYSA-N

Compound name

3-[methyl(methylsulfonyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.04088 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]+	182.04816	138.0
[M+Na]+	204.03010	144.9
[M+NH4]+	199.07470	143.6
[M+K]+	220.00404	141.2
[M-H]-	180.03360	135.1
[M+Na-2H]-	202.01555	139.0
[M]+	181.04033	138.1
[M]-	181.04143	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.