CID 65237

Neocuproine

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C

InChI

InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3

InChIKey

IYRGXJIJGHOCFS-UHFFFAOYSA-N

Compound name

2,9-dimethyl-1,10-phenanthroline

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 319
References: 5329
Patents: 208.10005 Da
Monoisotopic Mass: 3.3
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]+	209.10733	144.7
[M+Na]+	231.08927	163.3
[M+NH4]+	226.13387	155.2
[M+K]+	247.06321	153.7
[M-H]-	207.09277	149.1
[M+Na-2H]-	229.07472	154.5
[M]+	208.09950	149.0
[M]-	208.10060	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe