CID 2732735

60788-02-5

Structural Information

Molecular Formula
C12H11NO4S
SMILES
C1C(C(=O)N(C1=O)C2=CC=CC=C2)SCC(=O)O
InChI
InChI=1S/C12H11NO4S/c14-10-6-9(18-7-11(15)16)12(17)13(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)
InChIKey
YTNPLWOAHMUJEA-UHFFFAOYSA-N
Compound name
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.0409 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 159.0
[M+Na]+ 288.03012 169.0
[M+NH4]+ 283.07472 165.4
[M+K]+ 304.00406 164.2
[M-H]- 264.03362 159.8
[M+Na-2H]- 286.01557 162.5
[M]+ 265.04035 160.8
[M]- 265.04145 160.8
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

patents stripe