CID 68067

1,8-diaminonaphthalene

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C1=CC2=C(C(=C1)N)C(=CC=C2)N

InChI

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

InChIKey

YFOOEYJGMMJJLS-UHFFFAOYSA-N

Compound name

naphthalene-1,8-diamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 50
References: 8078
Patents: 158.0844 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]+	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