CID 71831

3-(diethylcarbamoyl)-1-methylpyridinium chloride

Structural Information

Molecular Formula
C11H17N2O
SMILES
CCN(CC)C(=O)C1=C[N+](=CC=C1)C
InChI
InChI=1S/C11H17N2O/c1-4-13(5-2)11(14)10-7-6-8-12(3)9-10/h6-9H,4-5H2,1-3H3/q+1
InChIKey
BEPUNMMUQLADTP-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-methylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.1341 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.14138 141.9
[M+Na]+ 216.12332 156.0
[M+NH4]+ 211.16792 151.0
[M+K]+ 232.09726 150.5
[M-H]- 192.12682 145.9
[M+Na-2H]- 214.10877 149.7
[M]+ 193.13355 145.3
[M]- 193.13465 145.3
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

patents stripe