CID 293353

Ethyl 2-methyl-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CCOC(=O)C1=CSC(=N1)C
InChI
InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
InChIKey
QWWPUBQHZFHZSF-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

605
Patents

171.0354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 134.2
[M+Na]+ 194.02462 143.7
[M-H]- 170.02812 137.4
[M+NH4]+ 189.06922 156.0
[M+K]+ 209.99856 142.6
[M+H-H2O]+ 154.03266 128.6
[M+HCOO]- 216.03360 153.3
[M+CH3COO]- 230.04925 176.3
[M+Na-2H]- 192.01007 135.7
[M]+ 171.03485 138.8
[M]- 171.03595 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe