CID 390688

Nsc688320

Structural Information

Molecular Formula
C16H22N2O2
SMILES
C1CCN2CCCC(C2C1)COC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H22N2O2/c19-16(13-6-8-17-9-7-13)20-12-14-4-3-11-18-10-2-1-5-15(14)18/h6-9,14-15H,1-5,10-12H2
InChIKey
KFIZLPOAJRUESW-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 165.4
[M+Na]+ 297.15734 168.0
[M-H]- 273.16084 168.0
[M+NH4]+ 292.20194 178.7
[M+K]+ 313.13128 164.6
[M+H-H2O]+ 257.16538 155.3
[M+HCOO]- 319.16632 178.5
[M+CH3COO]- 333.18197 174.0
[M+Na-2H]- 295.14279 168.5
[M]+ 274.16757 159.4
[M]- 274.16867 159.4
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.