CID 8353

Nsc 37080

Structural Information

Molecular Formula

C₁₂H₁₃NO₄S

SMILES

CCOC1=CC(=C2C=CC(=CC2=C1)S(=O)(=O)O)N

InChI

InChI=1S/C12H13NO4S/c1-2-17-9-5-8-6-10(18(14,15)16)3-4-11(8)12(13)7-9/h3-7H,2,13H2,1H3,(H,14,15,16)

InChIKey

UCAVAHQRGOTNJB-UHFFFAOYSA-N

Compound name

5-amino-7-ethoxynaphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 267.05652 Da
Monoisotopic Mass: 1.6
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	155.3
[M+Na]+	290.04574	164.5
[M-H]-	266.04924	158.6
[M+NH4]+	285.09034	172.4
[M+K]+	306.01968	160.5
[M+H-H2O]+	250.05378	149.5
[M+HCOO]-	312.05472	171.9
[M+CH3COO]-	326.07037	194.2
[M+Na-2H]-	288.03119	160.5
[M]+	267.05597	158.7
[M]-	267.05707	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe