CID 235816

P-propionotoluidide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-3-10(12)11-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)

InChIKey

XWSRKIHDBLVVQU-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 293
Patents: 163.09972 Da
Monoisotopic Mass: 2.0
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]+	164.10700	134.8
[M+Na]+	186.08894	141.9
[M-H]-	162.09244	138.6
[M+NH4]+	181.13354	155.4
[M+K]+	202.06288	140.2
[M+H-H2O]+	146.09698	129.0
[M+HCOO]-	208.09792	159.5
[M+CH3COO]-	222.11357	181.6
[M+Na-2H]-	184.07439	140.8
[M]+	163.09917	134.7
[M]-	163.10027	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe