CID 80572721

Methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C7H9NO3S
SMILES
COCC1=NC=C(S1)C(=O)OC
InChI
InChI=1S/C7H9NO3S/c1-10-4-6-8-3-5(12-6)7(9)11-2/h3H,4H2,1-2H3
InChIKey
DQXFVHMQKGUFBI-UHFFFAOYSA-N
Compound name
methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.03032 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.037596 137.4
[M+Na]+ 210.019538 146.8
[M-H]- 186.023044 140.5
[M+NH4]+ 205.064143 158.5
[M+K]+ 225.993478 146.0
[M+H-H2O]+ 170.027580 131.6
[M+HCOO]- 232.028521 156.7
[M+CH3COO]- 246.044171 178.3
[M+Na-2H]- 208.004986 139.1
[M]+ 187.02977142 143.4
[M]- 187.03086858 143.4
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