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]+ 174.021936 134.0
[M+Na]+ 196.003878 142.4
[M-H]- 172.007384 134.5
[M+NH4]+ 191.048483 154.0
[M+K]+ 211.977818 140.6
[M+H-H2O]+ 156.011920 128.9
[M+HCOO]- 218.012861 149.5
[M+CH3COO]- 232.028511 171.7
[M+Na-2H]- 193.989326 134.2
[M]+ 173.01411142 135.3
[M]- 173.01520858 135.3
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.