CID 3531485

86847-77-0

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CC1=CC(=NC=C1)NC(=O)C(C)(C)C

InChI

InChI=1S/C11H16N2O/c1-8-5-6-12-9(7-8)13-10(14)11(2,3)4/h5-7H,1-4H3,(H,12,13,14)

InChIKey

GMKUFMYZJOPWSH-UHFFFAOYSA-N

Compound name

2,2-dimethyl-N-(4-methylpyridin-2-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 192.12627 Da
Monoisotopic Mass: 2.1
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]+	193.13355	144.1
[M+Na]+	215.11549	151.4
[M-H]-	191.11899	146.7
[M+NH4]+	210.16009	162.5
[M+K]+	231.08943	149.7
[M+H-H2O]+	175.12353	137.8
[M+HCOO]-	237.12447	165.7
[M+CH3COO]-	251.14012	186.9
[M+Na-2H]-	213.10094	150.4
[M]+	192.12572	144.4
[M]-	192.12682	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe