CID 11885

1-aminoanthracene

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

C1=CC=C2C=C3C(=CC2=C1)C=CC=C3N

InChI

InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2

InChIKey

YUENFNPLGJCNRB-UHFFFAOYSA-N

Compound name

anthracen-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 52
References: 13786
Patents: 193.08914 Da
Monoisotopic Mass: 3.7
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]+	194.09642	138.9
[M+Na]+	216.07836	156.2
[M+NH4]+	211.12296	150.5
[M+K]+	232.05230	146.5
[M-H]-	192.08186	145.1
[M+Na-2H]-	214.06381	149.3
[M]+	193.08859	143.5
[M]-	193.08969	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe