CID 2039211

82586-66-1

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

CCOC(=O)C1=CSC(=N1)CN(C)C

InChI

InChI=1S/C9H14N2O2S/c1-4-13-9(12)7-6-14-8(10-7)5-11(2)3/h6H,4-5H2,1-3H3

InChIKey

WLZZKIFUEGPCKY-UHFFFAOYSA-N

Compound name

ethyl 2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 214.0776 Da
Monoisotopic Mass: 1.4
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]+	215.084876	147.4
[M+Na]+	237.066818	155.1
[M-H]-	213.070324	151.5
[M+NH4]+	232.111423	167.6
[M+K]+	253.040758	154.7
[M+H-H2O]+	197.074860	140.6
[M+HCOO]-	259.075801	167.2
[M+CH3COO]-	273.091451	190.6
[M+Na-2H]-	235.052266	147.8
[M]+	214.07705142	153.1
[M]-	214.07814858	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe