CID 714236

79878-57-2

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CCOC(=O)CC1=NC(=CS1)O
InChI
InChI=1S/C7H9NO3S/c1-2-11-7(10)3-6-8-5(9)4-12-6/h4,9H,2-3H2,1H3
InChIKey
ZZGSZEVDFGBFJX-UHFFFAOYSA-N
Compound name
ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

187.03032 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.037596 137.9
[M+Na]+ 210.019538 146.8
[M-H]- 186.023044 139.6
[M+NH4]+ 205.064143 158.2
[M+K]+ 225.993478 145.1
[M+H-H2O]+ 170.027580 132.3
[M+HCOO]- 232.028521 155.7
[M+CH3COO]- 246.044171 175.7
[M+Na-2H]- 208.004986 139.1
[M]+ 187.02977142 142.0
[M]- 187.03086858 142.0
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