CID 126991548

Methyl 3,5-dimethyl-1,2-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CC1=C(C(=NS1)C)C(=O)OC
InChI
InChI=1S/C7H9NO2S/c1-4-6(7(9)10-3)5(2)11-8-4/h1-3H3
InChIKey
JHDDZIJMVIYYRH-UHFFFAOYSA-N
Compound name
methyl 3,5-dimethyl-1,2-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.0354 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 133.3
[M+Na]+ 194.024618 143.7
[M-H]- 170.028124 136.9
[M+NH4]+ 189.069223 155.5
[M+K]+ 209.998558 142.5
[M+H-H2O]+ 154.032660 128.0
[M+HCOO]- 216.033601 152.4
[M+CH3COO]- 230.049251 177.4
[M+Na-2H]- 192.010066 134.3
[M]+ 171.03485142 138.3
[M]- 171.03594858 138.3
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