CID 304271

Thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C4H3NO2S
SMILES
C1=C(N=CS1)C(=O)O
InChI
InChI=1S/C4H3NO2S/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)
InChIKey
HMVYYTRDXNKRBQ-UHFFFAOYSA-N
Compound name
1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4637
Patents

128.98845 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.99573 121.7
[M+Na]+ 151.97767 131.1
[M-H]- 127.98117 123.5
[M+NH4]+ 147.02227 144.0
[M+K]+ 167.95161 129.7
[M+H-H2O]+ 111.98571 116.5
[M+HCOO]- 173.98665 140.2
[M+CH3COO]- 188.00230 164.2
[M+Na-2H]- 149.96312 124.9
[M]+ 128.98790 123.0
[M]- 128.98900 123.0
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.