CID 78314

Arecoline methiodide

Structural Information

Molecular Formula
C9H16NO2
SMILES
C[N+]1(CCC=C(C1)C(=O)OC)C
InChI
InChI=1S/C9H16NO2/c1-10(2)6-4-5-8(7-10)9(11)12-3/h5H,4,6-7H2,1-3H3/q+1
InChIKey
SGGVHEFCRBNZST-UHFFFAOYSA-N
Compound name
methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

170.1181 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.12538 135.6
[M+Na]+ 193.10732 149.1
[M+NH4]+ 188.15192 146.3
[M+K]+ 209.08126 142.2
[M-H]- 169.11082 138.4
[M+Na-2H]- 191.09277 143.4
[M]+ 170.11755 138.7
[M]- 170.11865 138.7
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.