CID 22127992

Methyl 4-methyl-2-methylidenepentanoate

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC(C)CC(=C)C(=O)OC

InChI

InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3

InChIKey

FVAWMVZVWUHHOB-UHFFFAOYSA-N

Compound name

methyl 4-methyl-2-methylidenepentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
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	141.7
[M+NH4]+	160.13320	139.4
[M+K]+	181.06254	137.6
[M-H]-	141.09210	130.8
[M+Na-2H]-	163.07405	134.7
[M]+	142.09883	132.9
[M]-	142.09993	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe