CID 16770605

3-(dimethylsulfamoyl)-4-methylbenzoic acid

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(C)C
InChI
InChI=1S/C10H13NO4S/c1-7-4-5-8(10(12)13)6-9(7)16(14,15)11(2)3/h4-6H,1-3H3,(H,12,13)
InChIKey
RMMRRQKZWHODFF-UHFFFAOYSA-N
Compound name
3-(dimethylsulfamoyl)-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.05653 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 152.1
[M+Na]+ 266.04575 161.7
[M+NH4]+ 261.09035 158.3
[M+K]+ 282.01969 156.9
[M-H]- 242.04925 152.0
[M+Na-2H]- 264.03120 156.1
[M]+ 243.05598 153.7
[M]- 243.05708 153.7
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