CID 20836305

(1e,6z)-1-ethoxynona-1,6-diene

Structural Information

Molecular Formula
C11H20O
SMILES
CC/C=C\CCC/C=C/OCC
InChI
InChI=1S/C11H20O/c1-3-5-6-7-8-9-10-11-12-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5-,11-10+
InChIKey
QMZAWOWCSLVFKC-GWZUCBFCSA-N
Compound name
(1E,6Z)-1-ethoxynona-1,6-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 141.8
[M+Na]+ 191.140628 147.8
[M-H]- 167.144134 141.4
[M+NH4]+ 186.185233 162.8
[M+K]+ 207.114568 145.7
[M+H-H2O]+ 151.148670 136.8
[M+HCOO]- 213.149611 164.7
[M+CH3COO]- 227.165261 181.3
[M+Na-2H]- 189.126076 146.4
[M]+ 168.15086142 145.0
[M]- 168.15195858 145.0
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

No patent data available for this compound.