CID 15691762

133833-93-9

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CCOC(=O)C1=NC(=C(S1)C)O
InChI
InChI=1S/C7H9NO3S/c1-3-11-7(10)6-8-5(9)4(2)12-6/h9H,3H2,1-2H3
InChIKey
XGTYLIJXUZQDJK-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

187.03032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 137.3
[M+Na]+ 210.01954 147.0
[M-H]- 186.02304 139.3
[M+NH4]+ 205.06414 157.9
[M+K]+ 225.99348 145.3
[M+H-H2O]+ 170.02758 132.0
[M+HCOO]- 232.02852 155.0
[M+CH3COO]- 246.04417 176.9
[M+Na-2H]- 208.00499 137.8
[M]+ 187.02977 141.7
[M]- 187.03087 141.7
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