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]+ 262.180156 163.1
[M+Na]+ 284.162098 167.4
[M-H]- 260.165604 166.5
[M+NH4]+ 279.206703 180.2
[M+K]+ 300.136038 163.6
[M+H-H2O]+ 244.170140 154.7
[M+HCOO]- 306.171081 176.9
[M+CH3COO]- 320.186731 172.7
[M+Na-2H]- 282.147546 167.1
[M]+ 261.17233142 156.9
[M]- 261.17342858 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.