CID 88385

20165-96-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)[O-]

InChI

InChI=1S/C10H14N2O2/c1-3-11(4-2)10(13)9-6-5-7-12(14)8-9/h5-8H,3-4H2,1-2H3

InChIKey

QVMCONZXDUORQS-UHFFFAOYSA-N

Compound name

N,N-diethyl-1-oxidopyridin-1-ium-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 194.10553 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.112806	142.4
[M+Na]+	217.094748	149.1
[M-H]-	193.098254	144.8
[M+NH4]+	212.139353	160.0
[M+K]+	233.068688	143.6
[M+H-H2O]+	177.102790	140.3
[M+HCOO]-	239.103731	165.7
[M+CH3COO]-	253.119381	179.6
[M+Na-2H]-	215.080196	149.2
[M]+	194.10498142	141.7
[M]-	194.10607858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe