CID 25323490

949204-52-8

Structural Information

Molecular Formula
C12H13NO4S
SMILES
C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C12H13NO4S/c14-12(15)7-4-10-2-5-11(6-3-10)13-8-1-9-18(13,16)17/h2-7H,1,8-9H2,(H,14,15)/b7-4+
InChIKey
BSJXBECDACDIBZ-QPJJXVBHSA-N
Compound name
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.05652 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06380 159.2
[M+Na]+ 290.04574 168.9
[M+NH4]+ 285.09034 166.7
[M+K]+ 306.01968 162.1
[M-H]- 266.04924 159.6
[M+Na-2H]- 288.03119 164.4
[M]+ 267.05597 160.9
[M]- 267.05707 160.9
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.