CID 24844776

102206-86-0

Structural Information

Molecular Formula
C11H20NO2
SMILES
CCCOC(=O)C1C[N+](CC=C1)(C)C
InChI
InChI=1S/C11H20NO2/c1-4-8-14-11(13)10-6-5-7-12(2,3)9-10/h5-6,10H,4,7-9H2,1-3H3/q+1
InChIKey
CSYYTDGSEUOFLH-UHFFFAOYSA-N
Compound name
propyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1494 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.15668 143.7
[M+Na]+ 221.13862 150.1
[M-H]- 197.14212 145.9
[M+NH4]+ 216.18322 163.9
[M+K]+ 237.11256 143.7
[M+H-H2O]+ 181.14666 140.9
[M+HCOO]- 243.14760 162.8
[M+CH3COO]- 257.16325 177.9
[M+Na-2H]- 219.12407 150.6
[M]+ 198.14885 142.5
[M]- 198.14995 142.5
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.