CID 166302

Prenyl senecioate

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

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

InChI

InChI=1S/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,7H,6H2,1-4H3

InChIKey

CBERZXRMIOEKPW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 168.11504 Da
Monoisotopic Mass: 3.1
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]+	169.12232	140.7
[M+Na]+	191.10426	149.7
[M+NH4]+	186.14886	147.2
[M+K]+	207.07820	145.0
[M-H]-	167.10776	138.8
[M+Na-2H]-	189.08971	142.4
[M]+	168.11449	141.1
[M]-	168.11559	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe