CID 43558808

1155532-65-2

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CCOC(=O)C1=NC(=CS1)CO
InChI
InChI=1S/C7H9NO3S/c1-2-11-7(10)6-8-5(3-9)4-12-6/h4,9H,2-3H2,1H3
InChIKey
DUKVDKUHVHTUQO-UHFFFAOYSA-N
Compound name
ethyl 4-(hydroxymethyl)-1,3-thiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

187.03032 Da
Monoisotopic Mass

0.7
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

No literature data available for this compound.

Patent stripe

patents stripe