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 143.9
[M+Na]+ 216.12332 150.8
[M-H]- 192.12682 147.9
[M+NH4]+ 211.16792 162.5
[M+K]+ 232.09726 144.6
[M+H-H2O]+ 176.13136 139.6
[M+HCOO]- 238.13230 167.3
[M+CH3COO]- 252.14795 183.9
[M+Na-2H]- 214.10877 151.1
[M]+ 193.13355 144.7
[M]- 193.13465 144.7
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