CID 79898

5822-68-4

Structural Information

Molecular Formula
C10H18NO2
SMILES
CCOC(=O)C1=CCC[N+](C1)(C)C
InChI
InChI=1S/C10H18NO2/c1-4-13-10(12)9-6-5-7-11(2,3)8-9/h6H,4-5,7-8H2,1-3H3/q+1
InChIKey
HJYVDWICVOTBBM-UHFFFAOYSA-N
Compound name
ethyl 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

184.13376 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.14104 139.0
[M+Na]+ 207.12298 145.8
[M-H]- 183.12648 141.4
[M+NH4]+ 202.16758 159.7
[M+K]+ 223.09692 139.7
[M+H-H2O]+ 167.13102 136.4
[M+HCOO]- 229.13196 158.4
[M+CH3COO]- 243.14761 174.9
[M+Na-2H]- 205.10843 146.5
[M]+ 184.13321 137.4
[M]- 184.13431 137.4
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.