CID 42608195

(-)-modhephene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@H]1CC[C@@]23[C@@]1(CCC2)C(=CC3(C)C)C
InChI
InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14-,15+/m0/s1
InChIKey
APGXRXFCBZKIAN-TUKIKUTGSA-N
Compound name
(1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.4
[M+Na]+ 227.17702 158.2
[M-H]- 203.18052 157.0
[M+NH4]+ 222.22162 180.9
[M+K]+ 243.15096 154.3
[M+H-H2O]+ 187.18506 146.0
[M+HCOO]- 249.18600 170.5
[M+CH3COO]- 263.20165 163.5
[M+Na-2H]- 225.16247 150.7
[M]+ 204.18725 147.9
[M]- 204.18835 147.9
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

No patent data available for this compound.