CID 205432

Trans-1-hydroxy-5-methyloctahydro-2h-quinolizinium bromide isobutyrate (ester)

Structural Information

Molecular Formula
C14H26NO2
SMILES
CC(C)C(=O)OC1CCC[N+]2(C1CCCC2)C
InChI
InChI=1S/C14H26NO2/c1-11(2)14(16)17-13-8-6-10-15(3)9-5-4-7-12(13)15/h11-13H,4-10H2,1-3H3/q+1
InChIKey
JRLKGJBLGSAJCX-UHFFFAOYSA-N
Compound name
(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl) 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.19635 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.20363 158.0
[M+Na]+ 263.18557 160.9
[M-H]- 239.18907 159.5
[M+NH4]+ 258.23017 176.8
[M+K]+ 279.15951 153.9
[M+H-H2O]+ 223.19361 154.2
[M+HCOO]- 285.19455 170.3
[M+CH3COO]- 299.21020 186.3
[M+Na-2H]- 261.17102 161.9
[M]+ 240.19580 151.4
[M]- 240.19690 151.4
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.