CID 3016484

2-amino-n-(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)NCCO)N

InChI

InChI=1S/C9H12N2O2/c10-8-4-2-1-3-7(8)9(13)11-5-6-12/h1-4,12H,5-6,10H2,(H,11,13)

InChIKey

TWRJRCKCJRVPKH-UHFFFAOYSA-N

Compound name

2-amino-N-(2-hydroxyethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 58
Patents: 180.08987 Da
Monoisotopic Mass: -0.1
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]+	181.097146	138.1
[M+Na]+	203.079088	144.3
[M-H]-	179.082594	140.1
[M+NH4]+	198.123693	156.6
[M+K]+	219.053028	142.0
[M+H-H2O]+	163.087130	131.9
[M+HCOO]-	225.088071	162.2
[M+CH3COO]-	239.103721	182.6
[M+Na-2H]-	201.064536	143.3
[M]+	180.08932142	135.4
[M]-	180.09041858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe