CID 13057

4-nitro-1-naphthylamine

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])N

InChI

InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2

InChIKey

BVPJPRYNQHAOPQ-UHFFFAOYSA-N

Compound name

4-nitronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 650
Patents: 188.05858 Da
Monoisotopic Mass: 2.1
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]+	189.065856	134.4
[M+Na]+	211.047798	142.4
[M-H]-	187.051304	139.0
[M+NH4]+	206.092403	153.9
[M+K]+	227.021738	135.4
[M+H-H2O]+	171.055840	132.9
[M+HCOO]-	233.056781	160.1
[M+CH3COO]-	247.072431	179.4
[M+Na-2H]-	209.033246	144.3
[M]+	188.05803142	131.5
[M]-	188.05912858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe