CID 80417

6259-50-3

Structural Information

Molecular Formula

C₁₂H₁₃NO₄S

SMILES

CN(C)C1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)O

InChI

InChI=1S/C12H13NO4S/c1-13(2)9-4-3-8-5-10(18(15,16)17)7-12(14)11(8)6-9/h3-7,14H,1-2H3,(H,15,16,17)

InChIKey

LRPIENHBUQIGPP-UHFFFAOYSA-N

Compound name

6-(dimethylamino)-4-hydroxynaphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 333
Patents: 267.05652 Da
Monoisotopic Mass: -0.1
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]+	268.06380	156.0
[M+Na]+	290.04574	167.3
[M+NH4]+	285.09034	163.2
[M+K]+	306.01968	161.3
[M-H]-	266.04924	157.1
[M+Na-2H]-	288.03119	160.9
[M]+	267.05597	158.3
[M]-	267.05707	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe