CID 17946478

2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H4N2O2S2
SMILES
C1=CSC(=N1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C7H4N2O2S2/c10-7(11)4-3-13-6(9-4)5-8-1-2-12-5/h1-3H,(H,10,11)
InChIKey
BSWWUUBLFASJQT-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.97142 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97870 140.7
[M+Na]+ 234.96064 153.2
[M-H]- 210.96414 145.6
[M+NH4]+ 230.00524 161.0
[M+K]+ 250.93458 149.5
[M+H-H2O]+ 194.96868 135.5
[M+HCOO]- 256.96962 155.8
[M+CH3COO]- 270.98527 154.7
[M+Na-2H]- 232.94609 140.3
[M]+ 211.97087 145.3
[M]- 211.97197 145.3
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

No patent data available for this compound.