CID 25323490

(2e)-3-[4-(1,1-dioxo-1lambda6,2-thiazolidin-2-yl)phenyl]prop-2-enoic acid

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]+ 268.063796 157.2
[M+Na]+ 290.045738 165.6
[M-H]- 266.049244 161.6
[M+NH4]+ 285.090343 175.7
[M+K]+ 306.019678 161.6
[M+H-H2O]+ 250.053780 151.5
[M+HCOO]- 312.054721 172.8
[M+CH3COO]- 326.070371 187.6
[M+Na-2H]- 288.031186 157.6
[M]+ 267.05597142 158.0
[M]- 267.05706858 158.0
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.