CID 6847

1-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₈O₂

SMILES

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

InChI

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

InChIKey

LNETULKMXZVUST-UHFFFAOYSA-N

Compound name

naphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 345
References: 85815
Patents: 172.05243 Da
Monoisotopic Mass: 3.1
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	132.5
[M+Na]+	195.04165	141.0
[M-H]-	171.04515	136.1
[M+NH4]+	190.08625	153.2
[M+K]+	211.01559	137.9
[M+H-H2O]+	155.04969	127.0
[M+HCOO]-	217.05063	154.6
[M+CH3COO]-	231.06628	177.4
[M+Na-2H]-	193.02710	140.7
[M]+	172.05188	132.0
[M]-	172.05298	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe