CID 23364061

1,2-thiazole-3,4-dicarboxylic acid

Structural Information

Molecular Formula
C5H3NO4S
SMILES
C1=C(C(=NS1)C(=O)O)C(=O)O
InChI
InChI=1S/C5H3NO4S/c7-4(8)2-1-11-6-3(2)5(9)10/h1H,(H,7,8)(H,9,10)
InChIKey
DTOGINXCXXELIV-UHFFFAOYSA-N
Compound name
1,2-thiazole-3,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

172.97827 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.98555 131.7
[M+Na]+ 195.96749 140.6
[M-H]- 171.97099 132.2
[M+NH4]+ 191.01209 151.4
[M+K]+ 211.94143 138.9
[M+H-H2O]+ 155.97553 126.6
[M+HCOO]- 217.97647 147.9
[M+CH3COO]- 231.99212 170.0
[M+Na-2H]- 193.95294 132.4
[M]+ 172.97772 133.3
[M]- 172.97882 133.3
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