CID 113767

4-(octahydro-2h-quinolizin-3-yl)phenol

Structural Information

Molecular Formula
C15H21NO
SMILES
C1CCN2CC(CCC2C1)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H21NO/c17-15-8-5-12(6-9-15)13-4-7-14-3-1-2-10-16(14)11-13/h5-6,8-9,13-14,17H,1-4,7,10-11H2
InChIKey
ZMIYMHWGEDOPAJ-UHFFFAOYSA-N
Compound name
4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 154.4
[M+Na]+ 254.151528 158.1
[M-H]- 230.155034 157.6
[M+NH4]+ 249.196133 170.7
[M+K]+ 270.125468 153.7
[M+H-H2O]+ 214.159570 146.1
[M+HCOO]- 276.160511 168.3
[M+CH3COO]- 290.176161 164.1
[M+Na-2H]- 252.136976 158.0
[M]+ 231.16176142 146.1
[M]- 231.16285858 146.1
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

No patent data available for this compound.