CID 6441535

Digeranyl ether

Structural Information

Molecular Formula
C20H34O
SMILES
CC(=CCC/C(=C/COC/C=C(/CCC=C(C)C)\C)/C)C
InChI
InChI=1S/C20H34O/c1-17(2)9-7-11-19(5)13-15-21-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3/b19-13+,20-14+
InChIKey
XWRJRXQNOHXIOX-IWGRKNQJSA-N
Compound name
(2E)-1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

216
Patents

290.26096 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 180.8
[M+Na]+ 313.25018 183.1
[M-H]- 289.25368 179.3
[M+NH4]+ 308.29478 196.6
[M+K]+ 329.22412 179.0
[M+H-H2O]+ 273.25822 174.8
[M+HCOO]- 335.25916 197.3
[M+CH3COO]- 349.27481 208.4
[M+Na-2H]- 311.23563 175.7
[M]+ 290.26041 183.3
[M]- 290.26151 183.3
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