CID 61245144

Akos010495496

Structural Information

Molecular Formula
C10H13NO5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC(CCO)C(=O)O
InChI
InChI=1S/C10H13NO5S/c12-7-6-9(10(13)14)11-17(15,16)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H,13,14)
InChIKey
CHTCFTNTMCJDAT-UHFFFAOYSA-N
Compound name
2-(benzenesulfonamido)-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 154.2
[M+Na]+ 282.04067 159.2
[M-H]- 258.04417 154.6
[M+NH4]+ 277.08527 168.9
[M+K]+ 298.01461 156.3
[M+H-H2O]+ 242.04871 147.9
[M+HCOO]- 304.04965 169.0
[M+CH3COO]- 318.06530 188.1
[M+Na-2H]- 280.02612 157.1
[M]+ 259.05090 155.2
[M]- 259.05200 155.2
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.