CID 390684

1-{[(2,2-dimethylpropanoyl)oxy]methyl}-5-methyl-decahydroquinolizin-5-ium

Structural Information

Molecular Formula
C16H30NO2
SMILES
CC(C)(C)C(=O)OCC1CCC[N+]2(C1CCCC2)C
InChI
InChI=1S/C16H30NO2/c1-16(2,3)15(18)19-12-13-8-7-11-17(4)10-6-5-9-14(13)17/h13-14H,5-12H2,1-4H3/q+1
InChIKey
NZYBBNQLDAYWJE-UHFFFAOYSA-N
Compound name
(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.22766 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.23494 166.6
[M+Na]+ 291.21688 169.5
[M-H]- 267.22038 168.0
[M+NH4]+ 286.26148 184.6
[M+K]+ 307.19082 162.1
[M+H-H2O]+ 251.22492 163.1
[M+HCOO]- 313.22586 177.7
[M+CH3COO]- 327.24151 191.1
[M+Na-2H]- 289.20233 171.8
[M]+ 268.22711 160.9
[M]- 268.22821 160.9
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.