CID 66722

92-80-8

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCO)O

InChI

InChI=1S/C13H13NO3/c15-6-5-14-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16/h1-4,7-8,15-16H,5-6H2,(H,14,17)

InChIKey

VYHNSPUVKZPCDZ-UHFFFAOYSA-N

Compound name

3-hydroxy-N-(2-hydroxyethyl)naphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 507
Patents: 231.08954 Da
Monoisotopic Mass: 2.0
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]+	232.096816	149.0
[M+Na]+	254.078758	156.2
[M-H]-	230.082264	151.1
[M+NH4]+	249.123363	166.5
[M+K]+	270.052698	152.4
[M+H-H2O]+	214.086800	142.9
[M+HCOO]-	276.087741	170.0
[M+CH3COO]-	290.103391	188.6
[M+Na-2H]-	252.064206	155.3
[M]+	231.08899142	148.4
[M]-	231.09008858	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe