CID 13098245

4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol

Structural Information

Molecular Formula
C14H18O
SMILES
C1CCC2C(C1)CCC3=C2C=CC(=C3)O
InChI
InChI=1S/C14H18O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h7-10,13,15H,1-6H2
InChIKey
WDBMRQULPXMXAQ-UHFFFAOYSA-N
Compound name
4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 143.7
[M+Na]+ 225.124988 149.0
[M-H]- 201.128494 146.7
[M+NH4]+ 220.169593 164.1
[M+K]+ 241.098928 144.7
[M+H-H2O]+ 185.133030 137.5
[M+HCOO]- 247.133971 159.1
[M+CH3COO]- 261.149621 155.0
[M+Na-2H]- 223.110436 149.7
[M]+ 202.13522142 137.3
[M]- 202.13631858 137.3
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

patents stripe