CID 70640334

4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 143.7
[M+Na]+ 225.12499 149.0
[M-H]- 201.12849 146.7
[M+NH4]+ 220.16959 164.1
[M+K]+ 241.09893 144.7
[M+H-H2O]+ 185.13303 137.5
[M+HCOO]- 247.13397 159.1
[M+CH3COO]- 261.14962 155.0
[M+Na-2H]- 223.11044 149.7
[M]+ 202.13522 137.3
[M]- 202.13632 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