CID 736837

86847-64-5

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

CC(C)(C)C(=O)NC1=C(C=CC=N1)C=O

InChI

InChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)

InChIKey

ANABHCSYKASRRW-UHFFFAOYSA-N

Compound name

N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 206.10553 Da
Monoisotopic Mass: 1.8
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]+	207.11281	146.4
[M+Na]+	229.09475	157.4
[M+NH4]+	224.13935	153.0
[M+K]+	245.06869	152.6
[M-H]-	205.09825	146.8
[M+Na-2H]-	227.08020	152.1
[M]+	206.10498	147.9
[M]-	206.10608	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe