CID 71361317

30310-56-6

Structural Information

Molecular Formula

C₁₅H₂₀O₂

SMILES

CC(C)(CCCC1=CC2=C(C=C1)OCO2)C=C

InChI

InChI=1S/C15H20O2/c1-4-15(2,3)9-5-6-12-7-8-13-14(10-12)17-11-16-13/h4,7-8,10H,1,5-6,9,11H2,2-3H3

InChIKey

IHMNTQCUAJQGEX-UHFFFAOYSA-N

Compound name

5-(4,4-dimethylhex-5-enyl)-1,3-benzodioxole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.14633 Da
Monoisotopic Mass: 5.2
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]+	233.15361	153.9
[M+Na]+	255.13555	165.7
[M+NH4]+	250.18015	162.3
[M+K]+	271.10949	161.2
[M-H]-	231.13905	158.0
[M+Na-2H]-	253.12100	157.6
[M]+	232.14578	156.8
[M]-	232.14688	156.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.