CID 446073

Geran-8-yl geran

Structural Information

Molecular Formula
C20H34
SMILES
C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+
InChIKey
HSOYJGBJQAKCNA-CAIKYXSQSA-N
Compound name
(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2987
References

8260
Patents

274.26605 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.273326 177.2
[M+Na]+ 297.255268 179.5
[M-H]- 273.258774 175.7
[M+NH4]+ 292.299873 193.8
[M+K]+ 313.229208 175.0
[M+H-H2O]+ 257.263310 171.4
[M+HCOO]- 319.264251 193.4
[M+CH3COO]- 333.279901 206.5
[M+Na-2H]- 295.240716 172.2
[M]+ 274.26550142 178.2
[M]- 274.26659858 178.2
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.