CID 205428

17943-42-9

Structural Information

Molecular Formula
C15H28NO2
SMILES
CCCCC(=O)O[C@@H]1CCC[N+]2([C@@H]1CCCC2)C
InChI
InChI=1S/C15H28NO2/c1-3-4-10-15(17)18-14-9-7-12-16(2)11-6-5-8-13(14)16/h13-14H,3-12H2,1-2H3/q+1/t13-,14-,16?/m1/s1
InChIKey
IOINLADWFQAJED-UIDSBSESSA-N
Compound name
[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.21928 163.0
[M+Na]+ 277.20122 165.7
[M-H]- 253.20472 164.3
[M+NH4]+ 272.24582 181.3
[M+K]+ 293.17516 158.1
[M+H-H2O]+ 237.20926 158.8
[M+HCOO]- 299.21020 176.0
[M+CH3COO]- 313.22585 188.5
[M+Na-2H]- 275.18667 167.5
[M]+ 254.21145 157.4
[M]- 254.21255 157.4
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.