CID 438937

Akos024274493

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.22766 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.23494 167.3
[M+Na]+ 291.21688 169.3
[M-H]- 267.22038 168.4
[M+NH4]+ 286.26148 184.9
[M+K]+ 307.19082 161.8
[M+H-H2O]+ 251.22492 163.1
[M+HCOO]- 313.22586 178.8
[M+CH3COO]- 327.24151 192.3
[M+Na-2H]- 289.20233 170.1
[M]+ 268.22711 161.4
[M]- 268.22821 161.4
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.