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

567
Patents

274.26605 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.27333 175.1
[M+Na]+ 297.25527 177.9
[M-H]- 273.25877 173.8
[M+NH4]+ 292.29987 191.7
[M+K]+ 313.22921 173.4
[M+H-H2O]+ 257.26331 169.9
[M+HCOO]- 319.26425 190.7
[M+CH3COO]- 333.27990 206.6
[M+Na-2H]- 295.24072 172.1
[M]+ 274.26550 176.4
[M]- 274.26660 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