CID 92329

50402-56-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃S

SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCN

InChI

InChI=1S/C12H14N2O3S/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12(10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)

InChIKey

SJQRQOKXQKVJGJ-UHFFFAOYSA-N

Compound name

5-(2-aminoethylamino)naphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 41
References: 16672
Patents: 266.0725 Da
Monoisotopic Mass: -1.3
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]+	267.07978	156.0
[M+Na]+	289.06172	166.2
[M+NH4]+	284.10632	163.2
[M+K]+	305.03566	159.3
[M-H]-	265.06522	157.8
[M+Na-2H]-	287.04717	161.1
[M]+	266.07195	158.2
[M]-	266.07305	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe