CID 10378654

Digeranyl

Structural Information

Molecular Formula
C20H34
SMILES
CC(=CCC/C(=C/CC/C=C(/C)\CCC=C(C)C)/C)C
InChI
InChI=1S/C20H34/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h11-14H,7-10,15-16H2,1-6H3/b19-13-,20-14+
InChIKey
UXUPDBJCOQWXPC-LRVMPXQBSA-N
Compound name
(6Z,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
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

literature stripe

Patent stripe

patents stripe