CID 2773414

59418-09-6

Structural Information

Molecular Formula
C5H5NO2S
SMILES
COC(=O)C1=CSC=N1
InChI
InChI=1S/C5H5NO2S/c1-8-5(7)4-2-9-3-6-4/h2-3H,1H3
InChIKey
KUWWRNNYEYGSBQ-UHFFFAOYSA-N
Compound name
methyl 1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

454
Patents

143.0041 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.01138 127.5
[M+Na]+ 165.99332 138.2
[M+NH4]+ 161.03792 136.0
[M+K]+ 181.96726 133.1
[M-H]- 141.99682 128.0
[M+Na-2H]- 163.97877 132.3
[M]+ 143.00355 129.4
[M]- 143.00465 129.4
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