CID 131277137

2090975-10-1

Structural Information

Molecular Formula

C₅H₅ClN₂O₂S

SMILES

COC(=O)C1=C(SN=C1Cl)N

InChI

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

InChIKey

OUJGEDWCWCVBHT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.97603 Da
Monoisotopic Mass: 2.0
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]+	192.983306	135.4
[M+Na]+	214.965248	146.1
[M-H]-	190.968754	138.4
[M+NH4]+	210.009853	156.7
[M+K]+	230.939188	143.0
[M+H-H2O]+	174.973290	130.6
[M+HCOO]-	236.974231	150.7
[M+CH3COO]-	250.989881	179.4
[M+Na-2H]-	212.950696	136.3
[M]+	191.97548142	139.4
[M]-	191.97657858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.