CID 94164

Santalene

Structural Information

Molecular Formula
C15H24
SMILES
CC(=CCCC1(C2CC3C1(C3C2)C)C)C
InChI
InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3
InChIKey
KWFJIXPIFLVMPM-UHFFFAOYSA-N
Compound name
1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

968
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 151.1
[M+Na]+ 227.17702 160.4
[M-H]- 203.18052 153.3
[M+NH4]+ 222.22162 178.2
[M+K]+ 243.15096 155.0
[M+H-H2O]+ 187.18506 148.8
[M+HCOO]- 249.18600 165.6
[M+CH3COO]- 263.20165 163.3
[M+Na-2H]- 225.16247 154.5
[M]+ 204.18725 159.5
[M]- 204.18835 159.5
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