CID 5283307

3,6,8-dodecatrien-1-ol

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CCC/C=C/C=C/C/C=C/CCO

InChI

InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-7,9-10,13H,2-3,8,11-12H2,1H3/b5-4+,7-6+,10-9+

InChIKey

KWVQYNPBWXUHHT-ZYXMWXIMSA-N

Compound name

(3E,6E,8E)-dodeca-3,6,8-trien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 180.15141 Da
Monoisotopic Mass: 3.4
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]+	181.15869	145.8
[M+Na]+	203.14063	151.3
[M-H]-	179.14413	143.8
[M+NH4]+	198.18523	165.5
[M+K]+	219.11457	147.3
[M+H-H2O]+	163.14867	140.9
[M+HCOO]-	225.14961	167.1
[M+CH3COO]-	239.16526	180.0
[M+Na-2H]-	201.12608	149.3
[M]+	180.15086	146.6
[M]-	180.15196	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe