CID 66578

86-45-3

Structural Information

Molecular Formula

C₁₁H₁₁NO₄S

SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C11H11NO4S/c1-16-10-5-2-7-6-8(17(13,14)15)3-4-9(7)11(10)12/h2-6H,12H2,1H3,(H,13,14,15)

InChIKey

OXQJOAGKNHVOAI-UHFFFAOYSA-N

Compound name

5-amino-6-methoxynaphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 348
Patents: 253.04088 Da
Monoisotopic Mass: 1.2
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]+	254.04816	150.8
[M+Na]+	276.03010	160.5
[M-H]-	252.03360	154.3
[M+NH4]+	271.07470	168.5
[M+K]+	292.00404	156.7
[M+H-H2O]+	236.03814	145.2
[M+HCOO]-	298.03908	167.7
[M+CH3COO]-	312.05473	191.2
[M+Na-2H]-	274.01555	156.5
[M]+	253.04033	153.9
[M]-	253.04143	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe