CID 12225114

Ethyl 2-sulfamoylpropanoate

Structural Information

Molecular Formula

C₅H₁₁NO₄S

SMILES

CCOC(=O)C(C)S(=O)(=O)N

InChI

InChI=1S/C5H11NO4S/c1-3-10-5(7)4(2)11(6,8)9/h4H,3H2,1-2H3,(H2,6,8,9)

InChIKey

ASEJPRVSANXNLX-UHFFFAOYSA-N

Compound name

ethyl 2-sulfamoylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 181.04088 Da
Monoisotopic Mass: -0.4
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	142.5
[M-H]-	180.033604	135.6
[M+NH4]+	199.074703	155.1
[M+K]+	220.004038	142.1
[M+H-H2O]+	164.038140	130.5
[M+HCOO]-	226.039081	152.3
[M+CH3COO]-	240.054731	178.9
[M+Na-2H]-	202.015546	137.5
[M]+	181.04033142	138.3
[M]-	181.04142858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe