CID 61135

589-66-2

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC=CC(=O)OCC(C)C

InChI

InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3

InChIKey

XDOWKOALJBOBBL-UHFFFAOYSA-N

Compound name

2-methylpropyl but-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 664
Patents: 142.09938 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]+	143.10666	132.4
[M+Na]+	165.08860	142.1
[M+NH4]+	160.13320	139.6
[M+K]+	181.06254	137.1
[M-H]-	141.09210	131.0
[M+Na-2H]-	163.07405	135.1
[M]+	142.09883	133.1
[M]-	142.09993	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe