CID 6364671

(2e,6z)-1,1-diethoxynona-2,6-diene

Structural Information

Molecular Formula
C13H24O2
SMILES
CC/C=C\CC/C=C/C(OCC)OCC
InChI
InChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h7-8,11-13H,4-6,9-10H2,1-3H3/b8-7-,12-11+
InChIKey
GCIRJCKOUVCUBZ-OFALOCIGSA-N
Compound name
(2E,6Z)-1,1-diethoxynona-2,6-diene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

118
Patents

212.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 154.8
[M+Na]+ 235.16685 159.7
[M-H]- 211.17035 154.0
[M+NH4]+ 230.21145 173.8
[M+K]+ 251.14079 157.9
[M+H-H2O]+ 195.17489 149.2
[M+HCOO]- 257.17583 176.3
[M+CH3COO]- 271.19148 190.0
[M+Na-2H]- 233.15230 157.0
[M]+ 212.17708 159.5
[M]- 212.17818 159.5
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