CID 30682

6-aminonaphthalene-1,2-diol

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

C1=CC2=C(C=CC(=C2O)O)C=C1N

InChI

InChI=1S/C10H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5,12-13H,11H2

InChIKey

YFHXZMIBCZEDPJ-UHFFFAOYSA-N

Compound name

6-aminonaphthalene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 5
Patents: 175.06332 Da
Monoisotopic Mass: 1.8
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]+	176.070596	133.5
[M+Na]+	198.052538	143.0
[M-H]-	174.056044	135.9
[M+NH4]+	193.097143	153.5
[M+K]+	214.026478	139.0
[M+H-H2O]+	158.060580	128.3
[M+HCOO]-	220.061521	155.5
[M+CH3COO]-	234.077171	178.6
[M+Na-2H]-	196.037986	140.8
[M]+	175.06277142	131.3
[M]-	175.06386858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe