CID 81412

6962-44-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

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

InChIKey

POLMNXCVMYMLSF-UHFFFAOYSA-N

Compound name

N-(2-methoxy-5-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 74
Patents: 179.09464 Da
Monoisotopic Mass: 1.4
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	138.3
[M+Na]+	202.08386	150.3
[M+NH4]+	197.12846	146.3
[M+K]+	218.05780	144.6
[M-H]-	178.08736	140.6
[M+Na-2H]-	200.06931	144.7
[M]+	179.09409	140.5
[M]-	179.09519	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe