CID 7123

2-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₈O₂

SMILES

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

InChI

InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

Compound name

naphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 441
References: 84987
Patents: 172.05243 Da
Monoisotopic Mass: 3.3
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]+	173.05971	133.4
[M+Na]+	195.04165	147.7
[M+NH4]+	190.08625	142.9
[M+K]+	211.01559	140.8
[M-H]-	171.04515	136.2
[M+Na-2H]-	193.02710	141.2
[M]+	172.05188	136.3
[M]-	172.05298	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe