CID 1516509

N-(4-hydroxymethyl-pyridin-2-yl)-2,2-dimethyl-propionamide

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)(C)C(=O)NC1=NC=CC(=C1)CO

InChI

InChI=1S/C11H16N2O2/c1-11(2,3)10(15)13-9-6-8(7-14)4-5-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)

InChIKey

KKKRSQGSRUURJT-UHFFFAOYSA-N

Compound name

N-[4-(hydroxymethyl)-2-pyridinyl]-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.12119 Da
Monoisotopic Mass: 0.9
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]+	209.128466	148.0
[M+Na]+	231.110408	154.7
[M-H]-	207.113914	149.1
[M+NH4]+	226.155013	164.9
[M+K]+	247.084348	152.6
[M+H-H2O]+	191.118450	141.7
[M+HCOO]-	253.119391	168.2
[M+CH3COO]-	267.135041	186.4
[M+Na-2H]-	229.095856	153.8
[M]+	208.12064142	147.7
[M]-	208.12173858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe