CID 6670

81-16-3

Structural Information

Molecular Formula

C₁₀H₉NO₃S

SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N

InChI

InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)

InChIKey

GWIAAIUASRVOIA-UHFFFAOYSA-N

Compound name

2-aminonaphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 8
References: 5570
Patents: 223.03032 Da
Monoisotopic Mass: 1.8
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]+	224.03760	144.0
[M+Na]+	246.01954	156.1
[M+NH4]+	241.06414	152.2
[M+K]+	261.99348	149.1
[M-H]-	222.02304	145.7
[M+Na-2H]-	244.00499	149.9
[M]+	223.02977	146.6
[M]-	223.03087	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe