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
6
Annotation Hits

0
References

4499
Patents

226.19328 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 159.9
[M+Na]+ 249.182498 164.0
[M-H]- 225.186004 159.2
[M+NH4]+ 244.227103 178.3
[M+K]+ 265.156438 162.8
[M+H-H2O]+ 209.190540 154.4
[M+HCOO]- 271.191481 179.1
[M+CH3COO]- 285.207131 194.6
[M+Na-2H]- 247.167946 159.0
[M]+ 226.19273142 163.7
[M]- 226.19382858 163.7
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