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
3
Annotation Hits

1
References

78
Patents

204.1878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.195076 145.5
[M+Na]+ 227.177018 154.8
[M-H]- 203.180524 151.5
[M+NH4]+ 222.221623 172.7
[M+K]+ 243.150958 148.3
[M+H-H2O]+ 187.185060 143.1
[M+HCOO]- 249.186001 158.5
[M+CH3COO]- 263.201651 157.7
[M+Na-2H]- 225.162466 149.4
[M]+ 204.18725142 149.2
[M]- 204.18834858 149.2
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