CID 224175

121-78-8

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-4-15(5-2)9-11-8-12(14-10(3)16)6-7-13(11)17/h6-8,17H,4-5,9H2,1-3H3,(H,14,16)

InChIKey

BOUCRWJEKAGKKG-UHFFFAOYSA-N

Compound name

N-[3-(diethylaminomethyl)-4-hydroxyphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 8854
Patents: 236.15248 Da
Monoisotopic Mass: 1.0
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]+	237.15976	156.4
[M+Na]+	259.14170	166.1
[M+NH4]+	254.18630	163.2
[M+K]+	275.11564	160.8
[M-H]-	235.14520	158.5
[M+Na-2H]-	257.12715	161.2
[M]+	236.15193	158.0
[M]-	236.15303	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe