CID 5365849

2565-82-4

Structural Information

Molecular Formula
C11H20O
SMILES
CC(=CCC/C(=C/COC)/C)C
InChI
InChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKey
AVJMJMPVWWWELJ-DHZHZOJOSA-N
Compound name
(2E)-1-methoxy-3,7-dimethylocta-2,6-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

931
Patents

168.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 142.6
[M+Na]+ 191.140628 148.1
[M-H]- 167.144134 142.4
[M+NH4]+ 186.185233 163.4
[M+K]+ 207.114568 146.9
[M+H-H2O]+ 151.148670 137.8
[M+HCOO]- 213.149611 163.5
[M+CH3COO]- 227.165261 182.9
[M+Na-2H]- 189.126076 144.7
[M]+ 168.15086142 144.4
[M]- 168.15195858 144.4
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