CID 148762

3-aminoacenaphthene hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₁N

SMILES

C1CC2=C(C=CC3=C2C1=CC=C3)N

InChI

InChI=1S/C12H11N/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-3,5,7H,4,6,13H2

InChIKey

OUYJCKISKGRXRJ-UHFFFAOYSA-N

Compound name

1,2-dihydroacenaphthylen-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 169.08914 Da
Monoisotopic Mass: 2.8
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]+	170.096416	133.5
[M+Na]+	192.078358	142.6
[M-H]-	168.081864	138.3
[M+NH4]+	187.122963	158.0
[M+K]+	208.052298	138.3
[M+H-H2O]+	152.086400	128.2
[M+HCOO]-	214.087341	156.8
[M+CH3COO]-	228.102991	147.8
[M+Na-2H]-	190.063806	141.3
[M]+	169.08859142	132.4
[M]-	169.08968858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe