CID 7131160

871478-71-6

Structural Information

Molecular Formula
C12H14N2O5S
SMILES
C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C12H14N2O5S/c15-11-2-1-7-14(11)9-3-5-10(6-4-9)20(18,19)13-8-12(16)17/h3-6,13H,1-2,7-8H2,(H,16,17)
InChIKey
OABMUNJMPKMMHH-UHFFFAOYSA-N
Compound name
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.06235 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.069626 164.5
[M+Na]+ 321.051568 170.9
[M-H]- 297.055074 168.6
[M+NH4]+ 316.096173 179.1
[M+K]+ 337.025508 167.6
[M+H-H2O]+ 281.059610 157.9
[M+HCOO]- 343.060551 179.7
[M+CH3COO]- 357.076201 196.4
[M+Na-2H]- 319.037016 165.6
[M]+ 298.06180142 165.1
[M]- 298.06289858 165.1
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.