CID 12018491

2,6,10,14,18-pentamethyl-13e-(3-methyl-pent-4-enylidene)-nonadeca-2,6e,10e,17-tetraene

Structural Information

Molecular Formula
C30H50
SMILES
CC(CCC=C(C)C)/C(=C/CC(C)C=C)/C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C30H50/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/h10,14-15,17,21-22,26,29H,1,11-13,16,18-20,23H2,2-9H3/b27-17+,28-21+,30-22+
InChIKey
JCWJDRJIYCBBNM-VZKDKEEGSA-N
Compound name
(6E,10E,13E)-2,6,10,14,18-pentamethyl-13-(3-methylpent-4-enylidene)nonadeca-2,6,10,17-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.39127 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.39855 216.6
[M+Na]+ 433.38049 215.0
[M-H]- 409.38399 213.5
[M+NH4]+ 428.42509 220.8
[M+K]+ 449.35443 208.2
[M+H-H2O]+ 393.38853 209.9
[M+HCOO]- 455.38947 212.1
[M+CH3COO]- 469.40512 236.0
[M+Na-2H]- 431.36594 203.1
[M]+ 410.39072 218.1
[M]- 410.39182 218.1
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.