CID 16719

Naphthalene-1,4-diamine

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C1=CC=C2C(=C1)C(=CC=C2N)N

InChI

InChI=1S/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2

InChIKey

OKBVMLGZPNDWJK-UHFFFAOYSA-N

Compound name

naphthalene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4088
Patents: 158.0844 Da
Monoisotopic Mass: 2.0
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]+	159.09168	130.1
[M+Na]+	181.07362	138.9
[M-H]-	157.07712	134.4
[M+NH4]+	176.11822	151.5
[M+K]+	197.04756	135.2
[M+H-H2O]+	141.08166	124.4
[M+HCOO]-	203.08260	155.2
[M+CH3COO]-	217.09825	144.1
[M+Na-2H]-	179.05907	138.5
[M]+	158.08385	126.7
[M]-	158.08495	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe