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
2
Annotation Hits

2984
References

23
Patents

274.26605 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.27333 177.2
[M+Na]+ 297.25527 179.5
[M-H]- 273.25877 175.7
[M+NH4]+ 292.29987 193.8
[M+K]+ 313.22921 175.0
[M+H-H2O]+ 257.26331 171.4
[M+HCOO]- 319.26425 193.4
[M+CH3COO]- 333.27990 206.5
[M+Na-2H]- 295.24072 172.2
[M]+ 274.26550 178.2
[M]- 274.26660 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

literature stripe

Patent stripe

patents stripe