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]+ 199.148126 143.7
[M+Na]+ 221.130068 149.2
[M-H]- 197.133574 147.4
[M+NH4]+ 216.174673 168.1
[M+K]+ 237.104008 144.4
[M+H-H2O]+ 181.138110 137.5
[M+HCOO]- 243.139051 159.3
[M+CH3COO]- 257.154701 155.5
[M+Na-2H]- 219.115516 149.1
[M]+ 198.14030142 139.7
[M]- 198.14139858 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.