CID 12294464

58088-74-7

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1=CC=NC(=C1)CC(C2=CC=CC=N2)N

InChI

InChI=1S/C12H13N3/c13-11(12-6-2-4-8-15-12)9-10-5-1-3-7-14-10/h1-8,11H,9,13H2

InChIKey

AYQJDJKPACQLKR-UHFFFAOYSA-N

Compound name

1,2-dipyridin-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 199.11095 Da
Monoisotopic Mass: 0.7
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]+	200.11823	143.9
[M+Na]+	222.10017	150.4
[M-H]-	198.10367	147.1
[M+NH4]+	217.14477	159.3
[M+K]+	238.07411	146.5
[M+H-H2O]+	182.10821	134.9
[M+HCOO]-	244.10915	165.8
[M+CH3COO]-	258.12480	155.7
[M+Na-2H]-	220.08562	151.6
[M]+	199.11040	141.0
[M]-	199.11150	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe