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]+ 341.320276 187.6
[M+Na]+ 363.302218 189.8
[M-H]- 339.305724 188.3
[M+NH4]+ 358.346823 198.8
[M+K]+ 379.276158 185.3
[M+H-H2O]+ 323.310260 184.2
[M+HCOO]- 385.311201 201.8
[M+CH3COO]- 399.326851 211.4
[M+Na-2H]- 361.287666 181.4
[M]+ 340.31245142 180.9
[M]- 340.31354858 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.