CID 60675946

1249272-93-2

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CCOC(=O)CC1=NC(=C(S1)C)C

InChI

InChI=1S/C9H13NO2S/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3

InChIKey

XUWPJYUWXVDIRE-UHFFFAOYSA-N

Compound name

ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.0667 Da
Monoisotopic Mass: 1.9
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]+	200.07398	144.9
[M+Na]+	222.05592	155.5
[M+NH4]+	217.10052	152.8
[M+K]+	238.02986	149.9
[M-H]-	198.05942	145.4
[M+Na-2H]-	220.04137	148.3
[M]+	199.06615	146.9
[M]-	199.06725	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.