CID 4130326

1-(9-phenanthryl)-1-cyclohexanol

Structural Information

Molecular Formula
C20H20O
SMILES
C1CCC(CC1)(C2=CC3=CC=CC=C3C4=CC=CC=C42)O
InChI
InChI=1S/C20H20O/c21-20(12-6-1-7-13-20)19-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)19/h2-5,8-11,14,21H,1,6-7,12-13H2
InChIKey
LJOLNWJDSJIHKE-UHFFFAOYSA-N
Compound name
1-phenanthren-9-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.15143 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15871 165.1
[M+Na]+ 299.14065 172.2
[M-H]- 275.14415 171.7
[M+NH4]+ 294.18525 184.0
[M+K]+ 315.11459 165.6
[M+H-H2O]+ 259.14869 156.3
[M+HCOO]- 321.14963 182.6
[M+CH3COO]- 335.16528 176.0
[M+Na-2H]- 297.12610 172.7
[M]+ 276.15088 161.1
[M]- 276.15198 161.1
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.