CID 438949

1-[(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizin-5-ium-1-yl)methyl]piperidine-2,6-dione

Structural Information

Molecular Formula

C₁₆H₂₇N₂O₂

SMILES

C[N+]12CCCCC1C(CCC2)CN3C(=O)CCCC3=O

InChI

InChI=1S/C16H27N2O2/c1-18-10-3-2-7-14(18)13(6-5-11-18)12-17-15(19)8-4-9-16(17)20/h13-14H,2-12H2,1H3/q+1

InChIKey

PCIBTTYAMSQPQR-UHFFFAOYSA-N

Compound name

1-[(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl]piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.20724 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.214516	169.3
[M+Na]+	302.196458	172.0
[M-H]-	278.199964	172.0
[M+NH4]+	297.241063	184.7
[M+K]+	318.170398	162.7
[M+H-H2O]+	262.204500	162.6
[M+HCOO]-	324.205441	178.6
[M+CH3COO]-	338.221091	192.6
[M+Na-2H]-	300.181906	172.3
[M]+	279.20669142	158.3
[M]-	279.20778858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.