CID 4962473

3-[methoxy(methyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C9H11NO5S
SMILES
CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C9H11NO5S/c1-10(15-2)16(13,14)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKey
XSMWWLKSVJQCRJ-UHFFFAOYSA-N
Compound name
3-[methoxy(methyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

245.0358 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04308 150.4
[M+Na]+ 268.02502 159.4
[M+NH4]+ 263.06962 156.1
[M+K]+ 283.99896 155.2
[M-H]- 244.02852 149.8
[M+Na-2H]- 266.01047 154.5
[M]+ 245.03525 151.6
[M]- 245.03635 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe