CID 113775

63716-75-6

Structural Information

Molecular Formula
C15H21N
SMILES
C1CCN2CC(CCC2C1)C3=CC=CC=C3
InChI
InChI=1S/C15H21N/c1-2-6-13(7-3-1)14-9-10-15-8-4-5-11-16(15)12-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey
AKRZYNWILFKKNM-UHFFFAOYSA-N
Compound name
3-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 150.6
[M+Na]+ 238.15662 153.8
[M-H]- 214.16012 154.8
[M+NH4]+ 233.20122 168.0
[M+K]+ 254.13056 149.7
[M+H-H2O]+ 198.16466 141.8
[M+HCOO]- 260.16560 165.8
[M+CH3COO]- 274.18125 160.8
[M+Na-2H]- 236.14207 155.3
[M]+ 215.16685 142.2
[M]- 215.16795 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe