CID 13440887

8-amino-2-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

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

InChI

InChI=1S/C11H9NO2/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h1-6H,12H2,(H,13,14)

InChIKey

PBWULNOSRHQTHZ-UHFFFAOYSA-N

Compound name

8-aminonaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 439
Patents: 187.06332 Da
Monoisotopic Mass: 2.1
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]+	188.07060	137.5
[M+Na]+	210.05254	150.5
[M+NH4]+	205.09714	146.3
[M+K]+	226.02648	144.5
[M-H]-	186.05604	140.3
[M+Na-2H]-	208.03799	144.2
[M]+	187.06277	140.1
[M]-	187.06387	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe