CID 12819

2-hydroxy-1-naphthaldehyde

Structural Information

Molecular Formula

C₁₁H₈O₂

SMILES

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

InChI

InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H

InChIKey

NTCCNERMXRIPTR-UHFFFAOYSA-N

Compound name

2-hydroxynaphthalene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 148
References: 5374
Patents: 172.05243 Da
Monoisotopic Mass: 2.8
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]+	173.059706	131.9
[M+Na]+	195.041648	141.6
[M-H]-	171.045154	135.8
[M+NH4]+	190.086253	153.0
[M+K]+	211.015588	138.1
[M+H-H2O]+	155.049690	126.5
[M+HCOO]-	217.050631	154.9
[M+CH3COO]-	231.066281	177.6
[M+Na-2H]-	193.027096	140.6
[M]+	172.05188142	132.4
[M]-	172.05297858	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe