CID 205426

17943-37-2

Structural Information

Molecular Formula
C12H22NO2
SMILES
CC(=O)O[C@@H]1CCC[N+]2([C@@H]1CCCC2)C
InChI
InChI=1S/C12H22NO2/c1-10(14)15-12-7-5-9-13(2)8-4-3-6-11(12)13/h11-12H,3-9H2,1-2H3/q+1/t11-,12-,13?/m1/s1
InChIKey
GDNQMPXHXUHDDP-ZNRZSNADSA-N
Compound name
[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.16505 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.17233 149.2
[M+Na]+ 235.15427 153.2
[M-H]- 211.15777 151.1
[M+NH4]+ 230.19887 169.2
[M+K]+ 251.12821 146.3
[M+H-H2O]+ 195.16231 145.5
[M+HCOO]- 257.16325 163.2
[M+CH3COO]- 271.17890 179.5
[M+Na-2H]- 233.13972 155.3
[M]+ 212.16450 142.5
[M]- 212.16560 142.5
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.