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

75
Patents

204.1878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 151.1
[M+Na]+ 227.177018 158.7
[M-H]- 203.180524 155.3
[M+NH4]+ 222.221623 180.4
[M+K]+ 243.150958 154.0
[M+H-H2O]+ 187.185060 147.3
[M+HCOO]- 249.186001 167.7
[M+CH3COO]- 263.201651 163.7
[M+Na-2H]- 225.162466 152.4
[M]+ 204.18725142 147.6
[M]- 204.18834858 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

No literature data available for this compound.

Patent stripe

patents stripe