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

0
References

66
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 145.5
[M+Na]+ 227.17702 154.8
[M-H]- 203.18052 151.5
[M+NH4]+ 222.22162 172.7
[M+K]+ 243.15096 148.3
[M+H-H2O]+ 187.18506 143.1
[M+HCOO]- 249.18600 158.5
[M+CH3COO]- 263.20165 157.7
[M+Na-2H]- 225.16247 149.4
[M]+ 204.18725 149.2
[M]- 204.18835 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