CID 72212716

1196147-20-2

Structural Information

Molecular Formula

C₅H₅ClN₂O₂S

SMILES

COC(=O)C1=C(N=C(S1)Cl)N

InChI

InChI=1S/C5H5ClN2O2S/c1-10-4(9)2-3(7)8-5(6)11-2/h7H2,1H3

InChIKey

XJEGTQDOGZSFKN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.97603 Da
Monoisotopic Mass: 2.3
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]+	192.98331	136.8
[M+Na]+	214.96525	147.3
[M+NH4]+	210.00985	144.7
[M+K]+	230.93919	142.5
[M-H]-	190.96875	137.3
[M+Na-2H]-	212.95070	140.6
[M]+	191.97548	138.9
[M]-	191.97658	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.