CID 11106485

Beta-cedrene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@@H]2[C@]13CCC(=C)[C@H](C3)C2(C)C
InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m1/s1
InChIKey
DYLPEFGBWGEFBB-OSFYFWSMSA-N
Compound name
(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

35
References

1146
Patents

204.1878 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.1
[M+Na]+ 227.17702 158.7
[M-H]- 203.18052 155.3
[M+NH4]+ 222.22162 180.4
[M+K]+ 243.15096 154.0
[M+H-H2O]+ 187.18506 147.3
[M+HCOO]- 249.18600 167.7
[M+CH3COO]- 263.20165 163.7
[M+Na-2H]- 225.16247 152.4
[M]+ 204.18725 147.6
[M]- 204.18835 147.6
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

patents stripe