CID 10655181

Ethyl 2-(hydroxymethyl)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CCOC(=O)C1=CSC(=N1)CO
InChI
InChI=1S/C7H9NO3S/c1-2-11-7(10)5-4-12-6(3-9)8-5/h4,9H,2-3H2,1H3
InChIKey
ORBNJGCTXHRSBC-UHFFFAOYSA-N
Compound name
ethyl 2-(hydroxymethyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

187.03032 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 137.9
[M+Na]+ 210.01954 146.8
[M-H]- 186.02304 139.6
[M+NH4]+ 205.06414 158.2
[M+K]+ 225.99348 145.1
[M+H-H2O]+ 170.02758 132.3
[M+HCOO]- 232.02852 155.7
[M+CH3COO]- 246.04417 175.7
[M+Na-2H]- 208.00499 139.1
[M]+ 187.02977 142.0
[M]- 187.03087 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