CID 95082

31601-41-9

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

InChI=1S/C10H13NO2/c1-7-6-9(13-3)4-5-10(7)11-8(2)12/h4-6H,1-3H3,(H,11,12)

InChIKey

AYRUKGQCGNNMLA-UHFFFAOYSA-N

Compound name

N-(4-methoxy-2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 115
Patents: 179.09464 Da
Monoisotopic Mass: 1.3
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]+	180.10192	137.3
[M+Na]+	202.08386	145.4
[M-H]-	178.08736	141.6
[M+NH4]+	197.12846	157.6
[M+K]+	218.05780	144.2
[M+H-H2O]+	162.09190	131.5
[M+HCOO]-	224.09284	162.3
[M+CH3COO]-	238.10849	184.8
[M+Na-2H]-	200.06931	142.7
[M]+	179.09409	139.1
[M]-	179.09519	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe