CID 16790

2-hydroxy-1-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₈O₃

SMILES

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

InChI

InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)

InChIKey

UPHOPMSGKZNELG-UHFFFAOYSA-N

Compound name

2-hydroxynaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 24
References: 68183
Patents: 188.04735 Da
Monoisotopic Mass: 2.9
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]+	189.054626	135.8
[M+Na]+	211.036568	144.7
[M-H]-	187.040074	138.4
[M+NH4]+	206.081173	155.4
[M+K]+	227.010508	141.4
[M+H-H2O]+	171.044610	130.6
[M+HCOO]-	233.045551	156.5
[M+CH3COO]-	247.061201	178.2
[M+Na-2H]-	209.022016	142.8
[M]+	188.04680142	135.4
[M]-	188.04789858	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe