CID 116925

70892-82-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

C1=CN=CC=C1C(=O)N(CCO)CCO

InChI

InChI=1S/C10H14N2O3/c13-7-5-12(6-8-14)10(15)9-1-3-11-4-2-9/h1-4,13-14H,5-8H2

InChIKey

MTPZSDPCKPPQCT-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 233
Patents: 210.10045 Da
Monoisotopic Mass: -1.1
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]+	211.107726	146.3
[M+Na]+	233.089668	151.6
[M-H]-	209.093174	146.8
[M+NH4]+	228.134273	162.3
[M+K]+	249.063608	150.3
[M+H-H2O]+	193.097710	138.9
[M+HCOO]-	255.098651	167.6
[M+CH3COO]-	269.114301	185.5
[M+Na-2H]-	231.075116	151.3
[M]+	210.09990142	146.6
[M]-	210.10099858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe