CID 5471130

2,6,14-trimethyl-10-methylene-9-(3-methylpent-4-enyl)-pentadec-6e-ene

Structural Information

Molecular Formula
C25H46
SMILES
CC(C)CCC/C(=C/CC(CCC(C)C=C)C(=C)CCCC(C)C)/C
InChI
InChI=1S/C25H46/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,17,20-22,25H,1,8,10-16,18-19H2,2-7H3/b23-17+
InChIKey
BSXYLMVBPPIDSG-HAVVHWLPSA-N
Compound name
(E)-2,6,14-trimethyl-10-methylidene-9-(3-methylpent-4-enyl)pentadec-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.35995 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.36723 200.6
[M+Na]+ 369.34917 200.0
[M-H]- 345.35267 198.1
[M+NH4]+ 364.39377 213.9
[M+K]+ 385.32311 195.7
[M+H-H2O]+ 329.35721 194.1
[M+HCOO]- 391.35815 212.9
[M+CH3COO]- 405.37380 225.8
[M+Na-2H]- 367.33462 190.4
[M]+ 346.35940 203.2
[M]- 346.36050 203.2
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.