CID 15333973

6-(dimethylamino)-2-naphthoic acid

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO2/c1-14(2)12-6-5-9-7-11(13(15)16)4-3-10(9)8-12/h3-8H,1-2H3,(H,15,16)

InChIKey

OAPBBTYSMWBVPM-UHFFFAOYSA-N

Compound name

6-(dimethylamino)naphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 215.09464 Da
Monoisotopic Mass: 3.4
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]+	216.10192	146.1
[M+Na]+	238.08386	159.2
[M+NH4]+	233.12846	154.9
[M+K]+	254.05780	152.9
[M-H]-	214.08736	149.3
[M+Na-2H]-	236.06931	153.0
[M]+	215.09409	148.8
[M]-	215.09519	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe