CID 93584

Longicyclene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@]12CCCC([C@@H]3[C@H]1CC4C3C24C)(C)C
InChI
InChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3/t9-,10?,11-,12?,14+,15?/m1/s1
InChIKey
WCEIQUQVIOGRBF-ZYBGGCANSA-N
Compound name
(1R,2S,7R)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

70
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 131.2
[M+Na]+ 227.17702 139.8
[M+NH4]+ 222.22162 146.0
[M+K]+ 243.15096 136.6
[M-H]- 203.18052 138.3
[M+Na-2H]- 225.16247 136.7
[M]+ 204.18725 136.0
[M]- 204.18835 136.0
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