CID 495489

4-(4-methoxyphenyl)-2-azetidinone

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC1=CC=C(C=C1)C2CC(=O)N2

InChI

InChI=1S/C10H11NO2/c1-13-8-4-2-7(3-5-8)9-6-10(12)11-9/h2-5,9H,6H2,1H3,(H,11,12)

InChIKey

CESNFZGXKRIXRB-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)azetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.07898 Da
Monoisotopic Mass: 0.7
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]+	178.08626	133.3
[M+Na]+	200.06820	140.3
[M-H]-	176.07170	137.4
[M+NH4]+	195.11280	145.1
[M+K]+	216.04214	140.8
[M+H-H2O]+	160.07624	121.6
[M+HCOO]-	222.07718	153.7
[M+CH3COO]-	236.09283	181.4
[M+Na-2H]-	198.05365	138.9
[M]+	177.07843	140.9
[M]-	177.07953	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe