CID 3508919

2-hydroxy-8-phenyl-tricyclo(7.3.1.0(2,7))tridecan-13-one

Structural Information

Molecular Formula
C19H24O2
SMILES
C1CCC2(C(C1)C(C3CCCC2C3=O)C4=CC=CC=C4)O
InChI
InChI=1S/C19H24O2/c20-18-14-9-6-11-16(18)19(21)12-5-4-10-15(19)17(14)13-7-2-1-3-8-13/h1-3,7-8,14-17,21H,4-6,9-12H2
InChIKey
HRLRAZZTFFAGBS-UHFFFAOYSA-N
Compound name
2-hydroxy-8-phenyltricyclo[7.3.1.02,7]tridecan-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.17764 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.184916 167.6
[M+Na]+ 307.166858 171.4
[M-H]- 283.170364 171.3
[M+NH4]+ 302.211463 186.5
[M+K]+ 323.140798 165.9
[M+H-H2O]+ 267.174900 159.5
[M+HCOO]- 329.175841 178.2
[M+CH3COO]- 343.191491 176.4
[M+Na-2H]- 305.152306 171.2
[M]+ 284.17709142 159.2
[M]- 284.17818858 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.