CID 14526717

127116-08-9

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(CC=C(C)C)/C(=C/CO)/C

InChI

InChI=1S/C11H20O/c1-9(2)5-6-10(3)11(4)7-8-12/h5,7,10,12H,6,8H2,1-4H3/b11-7+

InChIKey

ZPIKDJYPRJOHLN-YRNVUSSQSA-N

Compound name

(2E)-3,4,7-trimethylocta-2,6-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 168.15141 Da
Monoisotopic Mass: 3.2
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]+	169.15869	143.6
[M+Na]+	191.14063	148.5
[M-H]-	167.14413	142.0
[M+NH4]+	186.18523	163.6
[M+K]+	207.11457	146.7
[M+H-H2O]+	151.14867	139.1
[M+HCOO]-	213.14961	162.0
[M+CH3COO]-	227.16526	181.0
[M+Na-2H]-	189.12608	143.8
[M]+	168.15086	142.8
[M]-	168.15196	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe