CID 10558828

156291-88-2

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC(=C)CCOC(=O)C(=C)C

InChI

InChI=1S/C9H14O2/c1-7(2)5-6-11-9(10)8(3)4/h1,3,5-6H2,2,4H3

InChIKey

AHRHOJAODFDUBQ-UHFFFAOYSA-N

Compound name

3-methylbut-3-enyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 154.09938 Da
Monoisotopic Mass: 3.3
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]+	155.10666	136.0
[M+Na]+	177.08860	145.2
[M+NH4]+	172.13320	142.6
[M+K]+	193.06254	140.7
[M-H]-	153.09210	134.2
[M+Na-2H]-	175.07405	138.0
[M]+	154.09883	136.4
[M]-	154.09993	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe