CID 11951

Naphthalene-2,7-diamine

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C1=CC(=CC2=C1C=CC(=C2)N)N

InChI

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

InChIKey

HBJPJUGOYJOSLR-UHFFFAOYSA-N

Compound name

naphthalene-2,7-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2210
Patents: 158.0844 Da
Monoisotopic Mass: 1.6
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]+	159.091676	130.1
[M+Na]+	181.073618	138.9
[M-H]-	157.077124	134.4
[M+NH4]+	176.118223	151.5
[M+K]+	197.047558	135.2
[M+H-H2O]+	141.081660	124.4
[M+HCOO]-	203.082601	155.2
[M+CH3COO]-	217.098251	144.1
[M+Na-2H]-	179.059066	138.5
[M]+	158.08385142	126.7
[M]-	158.08494858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe