CID 169492836

(2e)-alpha-cericerene

Structural Information

Molecular Formula
C25H40
SMILES
C/C/1=C\CC/C(=C/C[C@@H](CC/C(=C/CC1)/C)/C(=C/CC=C(C)C)/C)/C
InChI
InChI=1S/C25H40/c1-20(2)10-7-15-24(6)25-18-16-22(4)13-8-11-21(3)12-9-14-23(5)17-19-25/h10-11,14-16,25H,7-9,12-13,17-19H2,1-6H3/b21-11+,22-16+,23-14+,24-15+/t25-/m0/s1
InChIKey
XAYAQYFQCPHHSL-ZIDPCNJYSA-N
Compound name
(1E,5E,9E,12R)-1,5,9-trimethyl-12-[(2E)-6-methylhepta-2,5-dien-2-yl]cyclotetradeca-1,5,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.313 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.32028 187.6
[M+Na]+ 363.30222 189.8
[M-H]- 339.30572 188.3
[M+NH4]+ 358.34682 198.8
[M+K]+ 379.27616 185.3
[M+H-H2O]+ 323.31026 184.2
[M+HCOO]- 385.31120 201.8
[M+CH3COO]- 399.32685 211.4
[M+Na-2H]- 361.28767 181.4
[M]+ 340.31245 180.9
[M]- 340.31355 180.9
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.