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]+ 285.18492 167.6
[M+Na]+ 307.16686 171.4
[M-H]- 283.17036 171.3
[M+NH4]+ 302.21146 186.5
[M+K]+ 323.14080 165.9
[M+H-H2O]+ 267.17490 159.5
[M+HCOO]- 329.17584 178.2
[M+CH3COO]- 343.19149 176.4
[M+Na-2H]- 305.15231 171.2
[M]+ 284.17709 159.2
[M]- 284.17819 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.