CID 75144

2198-54-1

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

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

InChIKey

UAOIEEWQVAXCFY-UHFFFAOYSA-N

Compound name

N-(3,4-dimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 701
Patents: 163.09972 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]+	164.10700	135.2
[M+Na]+	186.08894	147.7
[M+NH4]+	181.13354	143.8
[M+K]+	202.06288	141.4
[M-H]-	162.09244	138.0
[M+Na-2H]-	184.07439	142.1
[M]+	163.09917	137.7
[M]-	163.10027	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe