CID 43237702

Methyl 2-(methylsulfamoyl)benzoate

Structural Information

Molecular Formula

C₉H₁₁NO₄S

SMILES

CNS(=O)(=O)C1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C9H11NO4S/c1-10-15(12,13)8-6-4-3-5-7(8)9(11)14-2/h3-6,10H,1-2H3

InChIKey

NHEROJRIOMGQCA-UHFFFAOYSA-N

Compound name

methyl 2-(methylsulfamoyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 229.04088 Da
Monoisotopic Mass: 0.7
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]+	230.04816	148.2
[M+Na]+	252.03010	158.0
[M+NH4]+	247.07470	154.6
[M+K]+	268.00404	152.4
[M-H]-	228.03360	148.3
[M+Na-2H]-	250.01555	152.9
[M]+	229.04033	149.8
[M]-	229.04143	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe