CID 3038720

Allyl-1-methyl-1,2,5,6-tetrahydronicotinate methiodide

Structural Information

Molecular Formula
C11H18NO2
SMILES
C[N+]1(CCC=C(C1)C(=O)OCC=C)C
InChI
InChI=1S/C11H18NO2/c1-4-8-14-11(13)10-6-5-7-12(2,3)9-10/h4,6H,1,5,7-9H2,2-3H3/q+1
InChIKey
WNMHGDSRZFUOBE-UHFFFAOYSA-N
Compound name
prop-2-enyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.13376 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.14104 142.3
[M+Na]+ 219.12298 148.9
[M-H]- 195.12648 144.5
[M+NH4]+ 214.16758 162.4
[M+K]+ 235.09692 141.9
[M+H-H2O]+ 179.13102 139.5
[M+HCOO]- 241.13196 161.5
[M+CH3COO]- 255.14761 176.9
[M+Na-2H]- 217.10843 149.2
[M]+ 196.13321 140.3
[M]- 196.13431 140.3
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.