CID 5365794

1,1-diethoxy-3,7-dimethylocta-2,6-diene

Structural Information

Molecular Formula
C14H26O2
SMILES
CCOC(/C=C(\C)/CCC=C(C)C)OCC
InChI
InChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
InChIKey
NTXGFKWLJFHGGJ-ACCUITESSA-N
Compound name
(2E)-1,1-diethoxy-3,7-dimethylocta-2,6-diene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

4455
Patents

226.19328 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 158.8
[M+Na]+ 249.18250 166.9
[M+NH4]+ 244.22710 164.9
[M+K]+ 265.15644 161.4
[M-H]- 225.18600 157.0
[M+Na-2H]- 247.16795 159.6
[M]+ 226.19273 159.1
[M]- 226.19383 159.1
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