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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.21452 169.3
[M+Na]+ 302.19646 172.0
[M-H]- 278.19996 172.0
[M+NH4]+ 297.24106 184.7
[M+K]+ 318.17040 162.7
[M+H-H2O]+ 262.20450 162.6
[M+HCOO]- 324.20544 178.6
[M+CH3COO]- 338.22109 192.6
[M+Na-2H]- 300.18191 172.3
[M]+ 279.20669 158.3
[M]- 279.20779 158.3
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.