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 172.2
[M+Na]+ 305.23254 174.0
[M-H]- 281.23604 173.0
[M+NH4]+ 300.27714 189.3
[M+K]+ 321.20648 165.8
[M+H-H2O]+ 265.24058 167.5
[M+HCOO]- 327.24152 184.4
[M+CH3COO]- 341.25717 194.5
[M+Na-2H]- 303.21799 175.6
[M]+ 282.24277 167.3
[M]- 282.24387 167.3
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.