CID 57931219

Methyl 4-chloro-2-methyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C6H6ClNO2S
SMILES
CC1=NC(=C(S1)C(=O)OC)Cl
InChI
InChI=1S/C6H6ClNO2S/c1-3-8-5(7)4(11-3)6(9)10-2/h1-2H3
InChIKey
RLUFOJAKQNJXAA-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.98077 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.98805 134.8
[M+Na]+ 213.96999 146.2
[M-H]- 189.97349 138.5
[M+NH4]+ 209.01459 156.9
[M+K]+ 229.94393 143.4
[M+H-H2O]+ 173.97803 130.4
[M+HCOO]- 235.97897 149.6
[M+CH3COO]- 249.99462 178.3
[M+Na-2H]- 211.95544 135.8
[M]+ 190.98022 141.1
[M]- 190.98132 141.1
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