CID 3080594

3-methoxyacetaminophen

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

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

InChI

InChI=1S/C9H11NO3/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)

InChIKey

KIZWIAQUWRXFNC-UHFFFAOYSA-N

Compound name

N-(4-hydroxy-3-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 56
Patents: 181.0739 Da
Monoisotopic Mass: 0.0
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]+	182.08118	137.3
[M+Na]+	204.06312	148.5
[M+NH4]+	199.10772	144.6
[M+K]+	220.03706	143.8
[M-H]-	180.06662	138.6
[M+Na-2H]-	202.04857	142.9
[M]+	181.07335	139.0
[M]-	181.07445	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe