CID 170834

N-(4-(2-hydroxyethoxy)phenyl)acetamide

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c1-8(13)11-9-2-4-10(5-3-9)14-7-6-12/h2-5,12H,6-7H2,1H3,(H,11,13)

InChIKey

PVKHXJDOHVTKKC-UHFFFAOYSA-N

Compound name

N-[4-(2-hydroxyethoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 195.08954 Da
Monoisotopic Mass: 0.5
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]+	196.09682	141.4
[M+Na]+	218.07876	148.0
[M-H]-	194.08226	143.8
[M+NH4]+	213.12336	159.9
[M+K]+	234.05270	146.3
[M+H-H2O]+	178.08680	135.2
[M+HCOO]-	240.08774	165.1
[M+CH3COO]-	254.10339	183.2
[M+Na-2H]-	216.06421	146.9
[M]+	195.08899	142.3
[M]-	195.09009	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe