CID 102502421

Beta-hexaprene

Structural Information

Molecular Formula
C30H48
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(=C)C=C)/C)/C)/C)/C)C
InChI
InChI=1S/C30H48/c1-9-26(4)16-11-18-28(6)20-13-22-30(8)24-14-23-29(7)21-12-19-27(5)17-10-15-25(2)3/h9,15,18-19,22-23H,1,4,10-14,16-17,20-21,24H2,2-3,5-8H3/b27-19+,28-18+,29-23+,30-22+
InChIKey
HVNMFMZGDPZXND-ICZYJQKRSA-N
Compound name
(6E,10E,14E,18E)-7,11,15,19,23-pentamethyl-3-methylidenetetracosa-1,6,10,14,18,22-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.3756 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.38288 216.8
[M+Na]+ 431.36482 219.0
[M+NH4]+ 426.40942 215.5
[M+K]+ 447.33876 215.9
[M-H]- 407.36832 206.3
[M+Na-2H]- 429.35027 213.0
[M]+ 408.37505 212.4
[M]- 408.37615 212.4
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

No patent data available for this compound.