CID 636596

1,5-dimethyl-9-methylene-tricyclo[6.2.2.0^(2,6)]dodecane

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@H]2[C@@H]1C[C@H]3CC[C@@]2(CC3=C)C
InChI
InChI=1S/C15H24/c1-10-4-5-14-13(10)8-12-6-7-15(14,3)9-11(12)2/h10,12-14H,2,4-9H2,1,3H3/t10-,12-,13-,14+,15-/m1/s1
InChIKey
NPHFULIVCUBDDN-DVLUHMITSA-N
Compound name
(1R,2S,5R,6R,8R)-1,5-dimethyl-9-methylidenetricyclo[6.2.2.02,6]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 159.3
[M+Na]+ 227.17702 167.0
[M-H]- 203.18052 162.6
[M+NH4]+ 222.22162 183.0
[M+K]+ 243.15096 159.4
[M+H-H2O]+ 187.18506 159.8
[M+HCOO]- 249.18600 169.3
[M+CH3COO]- 263.20165 168.8
[M+Na-2H]- 225.16247 163.9
[M]+ 204.18725 155.5
[M]- 204.18835 155.5
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

No patent data available for this compound.