CID 697223

N-(2,4-dimethylphenyl)pivalamide

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

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

InChI

InChI=1S/C13H19NO/c1-9-6-7-11(10(2)8-9)14-12(15)13(3,4)5/h6-8H,1-5H3,(H,14,15)

InChIKey

UNNKNOWVLKOZRO-UHFFFAOYSA-N

Compound name

N-(2,4-dimethylphenyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.14667 Da
Monoisotopic Mass: 2.9
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]+	206.15395	149.0
[M+Na]+	228.13589	160.6
[M+NH4]+	223.18049	156.9
[M+K]+	244.10983	154.8
[M-H]-	204.13939	151.1
[M+Na-2H]-	226.12134	155.0
[M]+	205.14612	151.2
[M]-	205.14722	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe