CID 603810

Ethyl 2,4-dimethylthiazole-5-carboxylate

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CCOC(=O)C1=C(N=C(S1)C)C
InChI
InChI=1S/C8H11NO2S/c1-4-11-8(10)7-5(2)9-6(3)12-7/h4H2,1-3H3
InChIKey
BXOIIRQIGYJTTB-UHFFFAOYSA-N
Compound name
ethyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

185.05106 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.058336 137.9
[M+Na]+ 208.040278 147.9
[M-H]- 184.043784 141.3
[M+NH4]+ 203.084883 159.5
[M+K]+ 224.014218 146.4
[M+H-H2O]+ 168.048320 132.4
[M+HCOO]- 230.049261 156.6
[M+CH3COO]- 244.064911 180.4
[M+Na-2H]- 206.025726 138.3
[M]+ 185.05051142 143.2
[M]- 185.05160858 143.2
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