CID 205430

17943-45-2

Structural Information

Molecular Formula
C17H32NO2
SMILES
CCCCCCC(=O)O[C@@H]1CCC[N+]2([C@@H]1CCCC2)C
InChI
InChI=1S/C17H32NO2/c1-3-4-5-6-12-17(19)20-16-11-9-14-18(2)13-8-7-10-15(16)18/h15-16H,3-14H2,1-2H3/q+1/t15-,16-,18?/m1/s1
InChIKey
DQIDTLJYCZQJDW-JNIOUFIGSA-N
Compound name
[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] heptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.24332 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.25060 171.2
[M+Na]+ 305.23254 182.2
[M+NH4]+ 300.27714 181.6
[M+K]+ 321.20648 173.4
[M-H]- 281.23604 174.2
[M+Na-2H]- 303.21799 175.5
[M]+ 282.24277 173.9
[M]- 282.24387 173.9
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.