CID 113768

63716-71-2

Structural Information

Molecular Formula
C16H23NO
SMILES
COC1=CC=CC=C1C2CCC3CCCCN3C2
InChI
InChI=1S/C16H23NO/c1-18-16-8-3-2-7-15(16)13-9-10-14-6-4-5-11-17(14)12-13/h2-3,7-8,13-14H,4-6,9-12H2,1H3
InChIKey
XEAVLJLNCQZBQI-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 159.7
[M+Na]+ 268.16718 172.7
[M+NH4]+ 263.21178 169.7
[M+K]+ 284.14112 164.0
[M-H]- 244.17068 164.8
[M+Na-2H]- 266.15263 166.5
[M]+ 245.17741 163.0
[M]- 245.17851 163.0
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.