CID 88519952

2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetic acid

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 134.5
[M+Na]+ 196.00388 143.2
[M-H]- 172.00738 135.9
[M+NH4]+ 191.04848 155.3
[M+K]+ 211.97782 141.0
[M+H-H2O]+ 156.01192 129.6
[M+HCOO]- 218.01286 150.0
[M+CH3COO]- 232.02851 172.9
[M+Na-2H]- 193.98933 133.7
[M]+ 173.01411 134.4
[M]- 173.01521 134.4
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