CID 521302

.gamma.-patchoulene

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC23C1CC(C2(C)C)CCC3=C
InChI
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h10,12-13H,2,5-9H2,1,3-4H3
InChIKey
SLTLKLCDQWGISZ-UHFFFAOYSA-N
Compound name
4,11,11-trimethyl-10-methylidenetricyclo[5.3.1.01,5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

204.1878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.6
[M+Na]+ 227.17702 159.9
[M+NH4]+ 222.22162 164.1
[M+K]+ 243.15096 152.1
[M-H]- 203.18052 152.7
[M+Na-2H]- 225.16247 154.0
[M]+ 204.18725 152.7
[M]- 204.18835 152.7
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

patents stripe