CID 10401147

Isodigeranyl

Structural Information

Molecular Formula
C20H34
SMILES
CC(=CCC/C(=C/CC(C)(CCC=C(C)C)C=C)/C)C
InChI
InChI=1S/C20H34/c1-8-20(7,15-10-12-18(4)5)16-14-19(6)13-9-11-17(2)3/h8,11-12,14H,1,9-10,13,15-16H2,2-7H3/b19-14+
InChIKey
MFGOTAHWOBKNNU-XMHGGMMESA-N
Compound name
(6E)-9-ethenyl-2,6,9,13-tetramethyltetradeca-2,6,12-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

592
Patents

274.26605 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.273326 175.1
[M+Na]+ 297.255268 177.9
[M-H]- 273.258774 173.8
[M+NH4]+ 292.299873 191.7
[M+K]+ 313.229208 173.4
[M+H-H2O]+ 257.263310 169.9
[M+HCOO]- 319.264251 190.7
[M+CH3COO]- 333.279901 206.6
[M+Na-2H]- 295.240716 172.1
[M]+ 274.26550142 176.4
[M]- 274.26659858 176.4
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