CID 91711829

Cycloseychellene

Structural Information

Molecular Formula
C15H24
SMILES
CC1CCC2(C3(C1CC4C2(C4C3)C)C)C
InChI
InChI=1S/C15H24/c1-9-5-6-14(3)13(2)8-12-11(7-10(9)13)15(12,14)4/h9-12H,5-8H2,1-4H3
InChIKey
XPWRIXBORAHMCD-UHFFFAOYSA-N
Compound name
4,7,8,11-tetramethyltetracyclo[5.4.0.03,5.04,8]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 149.6
[M+Na]+ 227.17702 158.1
[M-H]- 203.18052 151.9
[M+NH4]+ 222.22162 175.8
[M+K]+ 243.15096 153.9
[M+H-H2O]+ 187.18506 143.8
[M+HCOO]- 249.18600 158.2
[M+CH3COO]- 263.20165 160.7
[M+Na-2H]- 225.16247 156.8
[M]+ 204.18725 154.0
[M]- 204.18835 154.0
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