CID 12677274

20947-95-9

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

C1=CC=NC(=C1)CNCCN

InChI

InChI=1S/C8H13N3/c9-4-6-10-7-8-3-1-2-5-11-8/h1-3,5,10H,4,6-7,9H2

InChIKey

JAOSYYPULNBONK-UHFFFAOYSA-N

Compound name

N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 409
Patents: 151.11095 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]+	152.11823	131.8
[M+Na]+	174.10017	142.9
[M+NH4]+	169.14477	140.2
[M+K]+	190.07411	136.3
[M-H]-	150.10367	134.7
[M+Na-2H]-	172.08562	139.3
[M]+	151.11040	134.0
[M]-	151.11150	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe