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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.98805	137.5
[M+Na]+	213.96999	149.4
[M+NH4]+	209.01459	146.0
[M+K]+	229.94393	143.6
[M-H]-	189.97349	138.0
[M+Na-2H]-	211.95544	141.7
[M]+	190.98022	139.9
[M]-	190.98132	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe