CID 43142313

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

Structural Information

Molecular Formula
C6H4N4O2S
SMILES
C1=C(N=C(S1)C2=NC=NN2)C(=O)O
InChI
InChI=1S/C6H4N4O2S/c11-6(12)3-1-13-5(9-3)4-7-2-8-10-4/h1-2H,(H,11,12)(H,7,8,10)
InChIKey
RFGCNIVMVSWMJG-UHFFFAOYSA-N
Compound name
2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0055 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01278 138.2
[M+Na]+ 218.99472 149.2
[M+NH4]+ 214.03932 144.2
[M+K]+ 234.96866 147.3
[M-H]- 194.99822 137.4
[M+Na-2H]- 216.98017 143.4
[M]+ 196.00495 139.6
[M]- 196.00605 139.6
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.

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No patent data available for this compound.