CID 598524

1,2,3,3a,8,9,9a,9b-octahydrocyclopenta[def]phenanthrene

Structural Information

Molecular Formula
C15H18
SMILES
C1CC2CC3CCCC4=C3C2=C(C1)C=C4
InChI
InChI=1S/C15H18/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h7-8,12-13H,1-6,9H2
InChIKey
FGALZCVNLPOZNZ-UHFFFAOYSA-N
Compound name
tetracyclo[10.2.1.05,14.08,13]pentadeca-5(14),6,8(13)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.14085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14813 143.7
[M+Na]+ 221.13007 149.2
[M-H]- 197.13357 147.4
[M+NH4]+ 216.17467 168.1
[M+K]+ 237.10401 144.4
[M+H-H2O]+ 181.13811 137.5
[M+HCOO]- 243.13905 159.3
[M+CH3COO]- 257.15470 155.5
[M+Na-2H]- 219.11552 149.1
[M]+ 198.14030 139.7
[M]- 198.14140 139.7
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

No patent data available for this compound.