CID 69051281

56133-37-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

143.0041 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.01138 125.8
[M+Na]+ 165.99332 135.4
[M-H]- 141.99682 129.0
[M+NH4]+ 161.03792 148.5
[M+K]+ 181.96726 134.8
[M+H-H2O]+ 126.00136 120.3
[M+HCOO]- 188.00230 145.6
[M+CH3COO]- 202.01795 169.2
[M+Na-2H]- 163.97877 129.0
[M]+ 143.00355 129.3
[M]- 143.00465 129.3
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