CID 43167678

3-amino-n-(2-hydroxyethyl)-2-methylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC1=C(C=CC=C1N)C(=O)NCCO

InChI

InChI=1S/C10H14N2O2/c1-7-8(3-2-4-9(7)11)10(14)12-5-6-13/h2-4,13H,5-6,11H2,1H3,(H,12,14)

InChIKey

DMHJWUQRHOBKLL-UHFFFAOYSA-N

Compound name

3-amino-N-(2-hydroxyethyl)-2-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 0.2
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]+	195.112806	142.8
[M+Na]+	217.094748	149.5
[M-H]-	193.098254	144.9
[M+NH4]+	212.139353	161.0
[M+K]+	233.068688	146.9
[M+H-H2O]+	177.102790	136.6
[M+HCOO]-	239.103731	166.5
[M+CH3COO]-	253.119381	186.8
[M+Na-2H]-	215.080196	146.7
[M]+	194.10498142	140.8
[M]-	194.10607858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.