CID 10511613

Methyl 4-sulfamoylbutanoate

Structural Information

Molecular Formula

C₅H₁₁NO₄S

SMILES

COC(=O)CCCS(=O)(=O)N

InChI

InChI=1S/C5H11NO4S/c1-10-5(7)3-2-4-11(6,8)9/h2-4H2,1H3,(H2,6,8,9)

InChIKey

OKGHUVNCEBPCLY-UHFFFAOYSA-N

Compound name

methyl 4-sulfamoylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 181.04088 Da
Monoisotopic Mass: -0.9
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]+	182.048156	135.6
[M+Na]+	204.030098	142.9
[M-H]-	180.033604	135.6
[M+NH4]+	199.074703	155.3
[M+K]+	220.004038	142.0
[M+H-H2O]+	164.038140	130.5
[M+HCOO]-	226.039081	153.4
[M+CH3COO]-	240.054731	178.0
[M+Na-2H]-	202.015546	138.6
[M]+	181.04033142	139.0
[M]-	181.04142858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe