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]+	233.153606	155.1
[M+Na]+	255.135548	162.2
[M-H]-	231.139054	160.4
[M+NH4]+	250.180153	173.5
[M+K]+	271.109488	161.1
[M+H-H2O]+	215.143590	150.1
[M+HCOO]-	277.144531	174.1
[M+CH3COO]-	291.160181	192.0
[M+Na-2H]-	253.120996	161.6
[M]+	232.14578142	158.6
[M]-	232.14687858	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.