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

0
Patents

187.03032 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 137.4
[M+Na]+ 210.01954 146.8
[M-H]- 186.02304 140.5
[M+NH4]+ 205.06414 158.5
[M+K]+ 225.99348 146.0
[M+H-H2O]+ 170.02758 131.6
[M+HCOO]- 232.02852 156.7
[M+CH3COO]- 246.04417 178.3
[M+Na-2H]- 208.00499 139.1
[M]+ 187.02977 143.4
[M]- 187.03087 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

No patent data available for this compound.