CID 9855795

Valencene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C
InChI
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
InChIKey
QEBNYNLSCGVZOH-NFAWXSAZSA-N
Compound name
(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

111
References

5516
Patents

204.1878 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 151.2
[M+Na]+ 227.17702 163.0
[M+NH4]+ 222.22162 162.8
[M+K]+ 243.15096 153.1
[M-H]- 203.18052 154.7
[M+Na-2H]- 225.16247 157.1
[M]+ 204.18725 154.1
[M]- 204.18835 154.1
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