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]+ 236.01427 146.6
[M+Na]+ 257.99621 156.6
[M-H]- 233.99971 150.1
[M+NH4]+ 253.04081 166.8
[M+K]+ 273.97015 154.4
[M+H-H2O]+ 218.00425 141.9
[M+HCOO]- 280.00519 160.0
[M+CH3COO]- 294.02084 187.1
[M+Na-2H]- 255.98166 145.8
[M]+ 235.00644 154.5
[M]- 235.00754 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.