CID 16227585

923105-85-5

Structural Information

Molecular Formula
C12H11NO3S
SMILES
CC1=CC=C(C=C1)C2=CSC(=O)N2CC(=O)O
InChI
InChI=1S/C12H11NO3S/c1-8-2-4-9(5-3-8)10-7-17-12(16)13(10)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKey
KACFQNORGUIBBJ-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04596 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05324 154.5
[M+Na]+ 272.03518 166.8
[M+NH4]+ 267.07978 161.9
[M+K]+ 288.00912 161.1
[M-H]- 248.03868 156.5
[M+Na-2H]- 270.02063 160.2
[M]+ 249.04541 157.1
[M]- 249.04651 157.1
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.