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 134.3
[M+Na]+ 193.10732 141.6
[M-H]- 169.11082 136.9
[M+NH4]+ 188.15192 155.6
[M+K]+ 209.08126 135.6
[M+H-H2O]+ 153.11536 131.9
[M+HCOO]- 215.11630 154.1
[M+CH3COO]- 229.13195 171.8
[M+Na-2H]- 191.09277 142.3
[M]+ 170.11755 132.4
[M]- 170.11865 132.4
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.