CID 12294462

1,2-bis(pyridin-4-yl)ethan-1-amine trihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃N₃

SMILES

C1=CN=CC=C1CC(C2=CC=NC=C2)N

InChI

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

InChIKey

HDQTZARIDFWFSD-UHFFFAOYSA-N

Compound name

1,2-dipyridin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.11095 Da
Monoisotopic Mass: 0.6
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