CID 4655044

70298-88-3

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC(C)(C)C(=O)NC1=CN=CC=C1

InChI

InChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-5-4-6-11-7-8/h4-7H,1-3H3,(H,12,13)

InChIKey

VQXVCVTZSTYIMG-UHFFFAOYSA-N

Compound name

2,2-dimethyl-N-pyridin-3-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 235
Patents: 178.11061 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]+	179.11789	140.1
[M+Na]+	201.09983	151.4
[M+NH4]+	196.14443	147.7
[M+K]+	217.07377	146.1
[M-H]-	177.10333	141.3
[M+Na-2H]-	199.08528	146.9
[M]+	178.11006	141.9
[M]-	178.11116	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe