CID 21776230

2,6,10,14,18-pentamethyl-13e-(3-methyl-pent-4-enylidene)-nonadeca-2,6e,10e-triene

Structural Information

Molecular Formula
C30H52
SMILES
CC(C)CCCC(C)/C(=C/CC(C)C=C)/C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C30H52/c1-10-26(6)20-22-30(29(9)19-12-15-25(4)5)23-21-28(8)18-13-17-27(7)16-11-14-24(2)3/h10,14,17,21-22,25-26,29H,1,11-13,15-16,18-20,23H2,2-9H3/b27-17+,28-21+,30-22+
InChIKey
BNYPZWFLESHHNE-VZKDKEEGSA-N
Compound name
(6E,10E,13E)-2,6,10,14,18-pentamethyl-13-(3-methylpent-4-enylidene)nonadeca-2,6,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.4069 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.41418 218.7
[M+Na]+ 435.39612 216.7
[M-H]- 411.39962 215.5
[M+NH4]+ 430.44072 222.3
[M+K]+ 451.37006 210.4
[M+H-H2O]+ 395.40416 211.8
[M+HCOO]- 457.40510 213.1
[M+CH3COO]- 471.42075 237.5
[M+Na-2H]- 433.38157 205.0
[M]+ 412.40635 220.9
[M]- 412.40745 220.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.