CID 11458108

Methyl 2-acetylthiazole-4-carboxylate

Structural Information

Molecular Formula
C7H7NO3S
SMILES
CC(=O)C1=NC(=CS1)C(=O)OC
InChI
InChI=1S/C7H7NO3S/c1-4(9)6-8-5(3-12-6)7(10)11-2/h3H,1-2H3
InChIKey
NKGHYFIJEUOADI-UHFFFAOYSA-N
Compound name
methyl 2-acetyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

185.01466 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.02194 139.1
[M+Na]+ 208.00388 148.8
[M+NH4]+ 203.04848 146.2
[M+K]+ 223.97782 144.8
[M-H]- 184.00738 138.5
[M+Na-2H]- 205.98933 142.3
[M]+ 185.01411 140.4
[M]- 185.01521 140.4
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

patents stripe