CID 3040897

2h-quinolizin-3-equatorial-ol, octahydro-3-axial-(4-methoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
COC1=CC=C(C=C1)[C@@]2(CC[C@@H]3CCCCN3C2)O
InChI
InChI=1S/C16H23NO2/c1-19-15-7-5-13(6-8-15)16(18)10-9-14-4-2-3-11-17(14)12-16/h5-8,14,18H,2-4,9-12H2,1H3/t14-,16-/m0/s1
InChIKey
AMNGAOPJPQBJRH-HOCLYGCPSA-N
Compound name
(3R,9aS)-3-(4-methoxyphenyl)-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.1
[M+Na]+ 284.16210 167.4
[M-H]- 260.16560 166.5
[M+NH4]+ 279.20670 180.2
[M+K]+ 300.13604 163.6
[M+H-H2O]+ 244.17014 154.7
[M+HCOO]- 306.17108 176.9
[M+CH3COO]- 320.18673 172.7
[M+Na-2H]- 282.14755 167.1
[M]+ 261.17233 156.9
[M]- 261.17343 156.9
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.