CID 80418

6259-53-6

Structural Information

Molecular Formula

C₁₁H₁₁NO₄S

SMILES

CNC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)O

InChI

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

InChIKey

SEHCLGZKORRUKN-UHFFFAOYSA-N

Compound name

4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 311
Patents: 253.04088 Da
Monoisotopic Mass: -0.2
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	150.2
[M+Na]+	276.03010	159.5
[M-H]-	252.03360	152.8
[M+NH4]+	271.07470	167.5
[M+K]+	292.00404	155.1
[M+H-H2O]+	236.03814	145.0
[M+HCOO]-	298.03908	166.3
[M+CH3COO]-	312.05473	189.4
[M+Na-2H]-	274.01555	156.6
[M]+	253.04033	152.5
[M]-	253.04143	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe