CID 3864338

638220-38-9

Structural Information

Molecular Formula

C₉H₁₅N₃

SMILES

CN(C)C(CN)C1=CN=CC=C1

InChI

InChI=1S/C9H15N3/c1-12(2)9(6-10)8-4-3-5-11-7-8/h3-5,7,9H,6,10H2,1-2H3

InChIKey

PEQPPVGTDBKQPE-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
Patents: 165.1266 Da
Monoisotopic Mass: -0.2
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]+	166.13388	136.9
[M+Na]+	188.11582	147.6
[M+NH4]+	183.16042	145.2
[M+K]+	204.08976	142.1
[M-H]-	164.11932	139.8
[M+Na-2H]-	186.10127	144.0
[M]+	165.12605	139.0
[M]-	165.12715	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe