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

9
Patents

168.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 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

literature stripe

Patent stripe

patents stripe