CID 113773

63716-74-5

Structural Information

Molecular Formula
C16H23NO
SMILES
COC1=CC=C(C=C1)C2CCC3CCCCN3C2
InChI
InChI=1S/C16H23NO/c1-18-16-9-6-13(7-10-16)14-5-8-15-4-2-3-11-17(15)12-14/h6-7,9-10,14-15H,2-5,8,11-12H2,1H3
InChIKey
UEAIXQVDCJCSDU-UHFFFAOYSA-N
Compound name
3-(4-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 158.7
[M+Na]+ 268.16718 162.4
[M-H]- 244.17068 163.1
[M+NH4]+ 263.21178 175.1
[M+K]+ 284.14112 158.6
[M+H-H2O]+ 228.17522 149.8
[M+HCOO]- 290.17616 173.7
[M+CH3COO]- 304.19181 168.6
[M+Na-2H]- 266.15263 162.1
[M]+ 245.17741 152.5
[M]- 245.17851 152.5
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.