CID 42960171

4-[(1-hydroxypropan-2-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H13NO5S
SMILES
CC(CO)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H13NO5S/c1-7(6-12)11-17(15,16)9-4-2-8(3-5-9)10(13)14/h2-5,7,11-12H,6H2,1H3,(H,13,14)
InChIKey
ZSVYMPKNXYDAMD-UHFFFAOYSA-N
Compound name
4-(1-hydroxypropan-2-ylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.05145 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05873 153.7
[M+Na]+ 282.04067 159.5
[M-H]- 258.04417 154.5
[M+NH4]+ 277.08527 168.7
[M+K]+ 298.01461 156.7
[M+H-H2O]+ 242.04871 147.7
[M+HCOO]- 304.04965 168.4
[M+CH3COO]- 318.06530 189.3
[M+Na-2H]- 280.02612 155.9
[M]+ 259.05090 155.1
[M]- 259.05200 155.1
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

No patent data available for this compound.