CID 91654553

2-(1-hydroxyethyl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H7NO3S
SMILES
CC(C1=NC=C(S1)C(=O)O)O
InChI
InChI=1S/C6H7NO3S/c1-3(8)5-7-2-4(11-5)6(9)10/h2-3,8H,1H3,(H,9,10)
InChIKey
YIVPVTFGZULOPO-UHFFFAOYSA-N
Compound name
2-(1-hydroxyethyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.01466 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 135.3
[M+Na]+ 196.00388 144.0
[M+NH4]+ 191.04848 142.1
[M+K]+ 211.97782 141.0
[M-H]- 172.00738 133.9
[M+Na-2H]- 193.98933 137.7
[M]+ 173.01411 136.2
[M]- 173.01521 136.2
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.