CID 6441650

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

Structural Information

Molecular Formula
C11H20O
SMILES
CC(=C(C)CC/C(=C/CO)/C)C
InChI
InChI=1S/C11H20O/c1-9(2)11(4)6-5-10(3)7-8-12/h7,12H,5-6,8H2,1-4H3/b10-7+
InChIKey
JEKZWFRYLQPVTR-JXMROGBWSA-N
Compound name
(2E)-3,6,7-trimethylocta-2,6-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

168.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe