CID 26321

13886-04-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C11H16N2O2/c1-8(14)12-10-4-5-11(15)9(6-10)7-13(2)3/h4-6,15H,7H2,1-3H3,(H,12,14)

InChIKey

IUVBAHXLBOTWMB-UHFFFAOYSA-N

Compound name

N-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.12119 Da
Monoisotopic Mass: 0.3
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]+	209.12847	146.9
[M+Na]+	231.11041	153.3
[M-H]-	207.11391	150.9
[M+NH4]+	226.15501	165.5
[M+K]+	247.08435	152.4
[M+H-H2O]+	191.11845	140.4
[M+HCOO]-	253.11939	171.5
[M+CH3COO]-	267.13504	193.8
[M+Na-2H]-	229.09586	150.6
[M]+	208.12064	147.6
[M]-	208.12174	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe