CID 14526717

3,4,7-trimethyl-2e,6-octadien-1-ol

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
1
Annotation Hits

0
References

9
Patents

168.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 143.6
[M+Na]+ 191.14063 152.3
[M+NH4]+ 186.18523 150.4
[M+K]+ 207.11457 147.1
[M-H]- 167.14413 141.9
[M+Na-2H]- 189.12608 145.0
[M]+ 168.15086 144.0
[M]- 168.15196 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe