CID 113599

2-((2,3-dihydroxypropyl)amino)benzamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

C1=CC=C(C(=C1)C(=O)N)NCC(CO)O

InChI

InChI=1S/C10H14N2O3/c11-10(15)8-3-1-2-4-9(8)12-5-7(14)6-13/h1-4,7,12-14H,5-6H2,(H2,11,15)

InChIKey

WETMTSZNMMYKKX-UHFFFAOYSA-N

Compound name

2-(2,3-dihydroxypropylamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.10045 Da
Monoisotopic Mass: -0.8
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]+	211.107726	146.1
[M+Na]+	233.089668	150.9
[M-H]-	209.093174	146.4
[M+NH4]+	228.134273	162.3
[M+K]+	249.063608	148.6
[M+H-H2O]+	193.097710	139.6
[M+HCOO]-	255.098651	167.5
[M+CH3COO]-	269.114301	187.1
[M+Na-2H]-	231.075116	149.0
[M]+	210.09990142	142.7
[M]-	210.10099858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.