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
2
Annotation Hits

0
References

17
Patents

168.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 143.6
[M+Na]+ 191.140628 148.5
[M-H]- 167.144134 142.0
[M+NH4]+ 186.185233 163.6
[M+K]+ 207.114568 146.7
[M+H-H2O]+ 151.148670 139.1
[M+HCOO]- 213.149611 162.0
[M+CH3COO]- 227.165261 181.0
[M+Na-2H]- 189.126076 143.8
[M]+ 168.15086142 142.8
[M]- 168.15195858 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