CID 3023273

94021-42-8

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CC1=C(N=CS1)CCOC(=O)C(C)C

InChI

InChI=1S/C10H15NO2S/c1-7(2)10(12)13-5-4-9-8(3)14-6-11-9/h6-7H,4-5H2,1-3H3

InChIKey

KMEDDQQKAPHCLF-UHFFFAOYSA-N

Compound name

2-(5-methyl-1,3-thiazol-4-yl)ethyl 2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 213.08235 Da
Monoisotopic Mass: 2.6
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]+	214.08963	149.1
[M+Na]+	236.07157	158.7
[M+NH4]+	231.11617	156.6
[M+K]+	252.04551	153.6
[M-H]-	212.07507	149.2
[M+Na-2H]-	234.05702	152.2
[M]+	213.08180	150.7
[M]-	213.08290	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe