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

4661
Patents

128.98845 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.995726 121.7
[M+Na]+ 151.977668 131.1
[M-H]- 127.981174 123.5
[M+NH4]+ 147.022273 144.0
[M+K]+ 167.951608 129.7
[M+H-H2O]+ 111.985710 116.5
[M+HCOO]- 173.986651 140.2
[M+CH3COO]- 188.002301 164.2
[M+Na-2H]- 149.963116 124.9
[M]+ 128.98790142 123.0
[M]- 128.98899858 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

literature stripe

Patent stripe

patents stripe