CID 43080764

2-(4-cyanobenzenesulfonamido)propanoic acid

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H10N2O4S/c1-7(10(13)14)12-17(15,16)9-4-2-8(6-11)3-5-9/h2-5,7,12H,1H3,(H,13,14)
InChIKey
USRSVPGHBMPFNV-UHFFFAOYSA-N
Compound name
2-[(4-cyanophenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03613 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.043406 164.0
[M+Na]+ 277.025348 172.4
[M-H]- 253.028854 166.5
[M+NH4]+ 272.069953 178.4
[M+K]+ 292.999288 170.1
[M+H-H2O]+ 237.033390 151.4
[M+HCOO]- 299.034331 176.7
[M+CH3COO]- 313.049981 202.0
[M+Na-2H]- 275.010796 165.4
[M]+ 254.03558142 160.4
[M]- 254.03667858 160.4
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.