CID 101320

2',6'-propionoxylidide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCC(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C11H15NO/c1-4-10(13)12-11-8(2)6-5-7-9(11)3/h5-7H,4H2,1-3H3,(H,12,13)

InChIKey

TXBNRQUPSDOCGX-UHFFFAOYSA-N

Compound name

N-(2,6-dimethylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 44
Patents: 177.11537 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]+	178.122646	138.8
[M+Na]+	200.104588	146.5
[M-H]-	176.108094	142.9
[M+NH4]+	195.149193	159.3
[M+K]+	216.078528	144.5
[M+H-H2O]+	160.112630	133.1
[M+HCOO]-	222.113571	163.2
[M+CH3COO]-	236.129221	185.8
[M+Na-2H]-	198.090036	143.6
[M]+	177.11482142	139.5
[M]-	177.11591858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe