CID 362741

4-[(phenylsulfonyl)amino]butanoic acid

Structural Information

Molecular Formula
C10H13NO4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O
InChI
InChI=1S/C10H13NO4S/c12-10(13)7-4-8-11-16(14,15)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H,12,13)
InChIKey
MOGAUQWSGDNMAS-UHFFFAOYSA-N
Compound name
4-(benzenesulfonamido)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

58
Patents

243.05653 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 151.2
[M+Na]+ 266.04575 157.3
[M-H]- 242.04925 153.2
[M+NH4]+ 261.09035 167.6
[M+K]+ 282.01969 154.2
[M+H-H2O]+ 226.05379 145.0
[M+HCOO]- 288.05473 168.4
[M+CH3COO]- 302.07038 187.3
[M+Na-2H]- 264.03120 155.4
[M]+ 243.05598 153.4
[M]- 243.05708 153.4
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