CID 7446982

Sodium 4-methanesulfonamidobutanoate

Structural Information

Molecular Formula

C₅H₁₁NO₄S

SMILES

CS(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C5H11NO4S/c1-11(9,10)6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)

InChIKey

QXNVFRLQNKSJBT-UHFFFAOYSA-N

Compound name

4-(methanesulfonamido)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 181.04088 Da
Monoisotopic Mass: -0.8
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]+	182.048156	135.5
[M+Na]+	204.030098	142.2
[M-H]-	180.033604	134.5
[M+NH4]+	199.074703	154.6
[M+K]+	220.004038	140.7
[M+H-H2O]+	164.038140	130.5
[M+HCOO]-	226.039081	152.4
[M+CH3COO]-	240.054731	176.8
[M+Na-2H]-	202.015546	139.1
[M]+	181.04033142	138.1
[M]-	181.04142858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe