CID 96639

16375-94-3

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC(=O)NC1=CC=CC(=C1)CO

InChI

InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-3-8(5-9)6-11/h2-5,11H,6H2,1H3,(H,10,12)

InChIKey

WIXYDGUCWPQDPW-UHFFFAOYSA-N

Compound name

N-[3-(hydroxymethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 180
Patents: 165.07898 Da
Monoisotopic Mass: 0.4
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]+	166.08626	134.6
[M+Na]+	188.06820	145.9
[M+NH4]+	183.11280	142.4
[M+K]+	204.04214	140.5
[M-H]-	164.07170	136.3
[M+Na-2H]-	186.05365	140.8
[M]+	165.07843	136.5
[M]-	165.07953	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe