CID 23364061

Schembl3482652

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

96
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 133.9
[M+Na]+ 195.96749 142.4
[M+NH4]+ 191.01209 140.0
[M+K]+ 211.94143 140.0
[M-H]- 171.97099 131.8
[M+Na-2H]- 193.95294 135.9
[M]+ 172.97772 134.4
[M]- 172.97882 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