CID 60824790

Methyl 4-chloro-2-(propan-2-yloxy)-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C8H10ClNO3S
SMILES
CC(C)OC1=NC(=C(S1)C(=O)OC)Cl
InChI
InChI=1S/C8H10ClNO3S/c1-4(2)13-8-10-6(9)5(14-8)7(11)12-3/h4H,1-3H3
InChIKey
PYBJQIXSZAXEER-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2-propan-2-yloxy-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.00699 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.014266 146.6
[M+Na]+ 257.996208 156.6
[M-H]- 233.999714 150.1
[M+NH4]+ 253.040813 166.8
[M+K]+ 273.970148 154.4
[M+H-H2O]+ 218.004250 141.9
[M+HCOO]- 280.005191 160.0
[M+CH3COO]- 294.020841 187.1
[M+Na-2H]- 255.981656 145.8
[M]+ 235.00644142 154.5
[M]- 235.00753858 154.5
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.