CID 22641511

Biphenylen-2-amine

Structural Information

Molecular Formula

C₁₂H₉N

SMILES

C1=CC=C2C(=C1)C3=C2C=C(C=C3)N

InChI

InChI=1S/C12H9N/c13-8-5-6-11-9-3-1-2-4-10(9)12(11)7-8/h1-7H,13H2

InChIKey

NCIHXLNXNJCGIR-UHFFFAOYSA-N

Compound name

biphenylen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 167.0735 Da
Monoisotopic Mass: 1.4
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]+	168.080776	130.2
[M+Na]+	190.062718	139.6
[M-H]-	166.066224	136.0
[M+NH4]+	185.107323	146.5
[M+K]+	206.036658	138.6
[M+H-H2O]+	150.070760	119.4
[M+HCOO]-	212.071701	153.6
[M+CH3COO]-	226.087351	144.4
[M+Na-2H]-	188.048166	140.3
[M]+	167.07295142	139.0
[M]-	167.07404858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe