CID 7130602

4-[methoxy(methyl)sulfamoyl]benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
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 148.6
[M+Na]+ 268.02502 155.9
[M-H]- 244.02852 152.6
[M+NH4]+ 263.06962 165.8
[M+K]+ 283.99896 155.1
[M+H-H2O]+ 228.03306 142.4
[M+HCOO]- 290.03400 166.8
[M+CH3COO]- 304.04965 191.1
[M+Na-2H]- 266.01047 152.3
[M]+ 245.03525 153.5
[M]- 245.03635 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe