CID 6434908

66596-51-8

Structural Information

Molecular Formula

C₁₆H₂₀O₃

SMILES

CC(=CCCC(/C=C/C1=CC2=C(C=C1)OCO2)O)C

InChI

InChI=1S/C16H20O3/c1-12(2)4-3-5-14(17)8-6-13-7-9-15-16(10-13)19-11-18-15/h4,6-10,14,17H,3,5,11H2,1-2H3/b8-6+

InChIKey

PHOZDKYWXNTQIX-SOFGYWHQSA-N

Compound name

(1E)-1-(1,3-benzodioxol-5-yl)-7-methylocta-1,6-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.14124 Da
Monoisotopic Mass: 4.2
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]+	261.148516	164.5
[M+Na]+	283.130458	169.9
[M-H]-	259.133964	168.1
[M+NH4]+	278.175063	180.7
[M+K]+	299.104398	168.1
[M+H-H2O]+	243.138500	158.9
[M+HCOO]-	305.139441	181.5
[M+CH3COO]-	319.155091	193.8
[M+Na-2H]-	281.115906	166.6
[M]+	260.14069142	166.1
[M]-	260.14178858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe