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]+ 275.175396 165.4
[M+Na]+ 297.157338 168.0
[M-H]- 273.160844 168.0
[M+NH4]+ 292.201943 178.7
[M+K]+ 313.131278 164.6
[M+H-H2O]+ 257.165380 155.3
[M+HCOO]- 319.166321 178.5
[M+CH3COO]- 333.181971 174.0
[M+Na-2H]- 295.142786 168.5
[M]+ 274.16757142 159.4
[M]- 274.16866858 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.