CID 88519952

26386-18-5

Structural Information

Molecular Formula
C6H7NO3S
SMILES
CN\1C(=O)CS/C1=C\C(=O)O
InChI
InChI=1S/C6H7NO3S/c1-7-4(8)3-11-5(7)2-6(9)10/h2H,3H2,1H3,(H,9,10)/b5-2-
InChIKey
ALNQRRSGSUDFFL-DJWKRKHSSA-N
Compound name
(2Z)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

173.01466 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 137.7
[M+Na]+ 196.00388 146.0
[M+NH4]+ 191.04848 144.3
[M+K]+ 211.97782 142.1
[M-H]- 172.00738 136.2
[M+Na-2H]- 193.98933 138.7
[M]+ 173.01411 138.4
[M]- 173.01521 138.4
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