CID 137964337

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

Structural Information

Molecular Formula
C9H13NO4S
SMILES
CC(C1=NC=C(S1)C(=O)OC)(OC)OC
InChI
InChI=1S/C9H13NO4S/c1-9(13-3,14-4)8-10-5-6(15-8)7(11)12-2/h5H,1-4H3
InChIKey
GMNXSOROAOJXSC-UHFFFAOYSA-N
Compound name
methyl 2-(1,1-dimethoxyethyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05653 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.063806 150.4
[M+Na]+ 254.045748 159.0
[M-H]- 230.049254 153.4
[M+NH4]+ 249.090353 169.6
[M+K]+ 270.019688 158.7
[M+H-H2O]+ 214.053790 144.7
[M+HCOO]- 276.054731 167.8
[M+CH3COO]- 290.070381 186.7
[M+Na-2H]- 252.031196 152.2
[M]+ 231.05598142 158.0
[M]- 231.05707858 158.0
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

No patent data available for this compound.