CID 76759

3272-91-1

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

C1=CC2=C(C=CC=C2[N+](=O)[O-])C(=C1)N

InChI

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

InChIKey

WEWILNPCZSSAIJ-UHFFFAOYSA-N

Compound name

5-nitronaphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 216
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]+	189.06586	134.4
[M+Na]+	211.04780	142.4
[M-H]-	187.05130	139.0
[M+NH4]+	206.09240	153.9
[M+K]+	227.02174	135.4
[M+H-H2O]+	171.05584	132.9
[M+HCOO]-	233.05678	160.1
[M+CH3COO]-	247.07243	179.4
[M+Na-2H]-	209.03325	144.3
[M]+	188.05803	131.5
[M]-	188.05913	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe