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]+ 171.125376 134.3
[M+Na]+ 193.107318 141.6
[M-H]- 169.110824 136.9
[M+NH4]+ 188.151923 155.6
[M+K]+ 209.081258 135.6
[M+H-H2O]+ 153.115360 131.9
[M+HCOO]- 215.116301 154.1
[M+CH3COO]- 229.131951 171.8
[M+Na-2H]- 191.092766 142.3
[M]+ 170.11755142 132.4
[M]- 170.11864858 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.