CID 2760508

851292-41-6

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

C1CNCCN(C1)C2=CC=NC=C2

InChI

InChI=1S/C10H15N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h2-3,5-6,11H,1,4,7-9H2

InChIKey

PKAOAQVMDURQAK-UHFFFAOYSA-N

Compound name

1-pyridin-4-yl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 177.1266 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]+	178.13388	140.3
[M+Na]+	200.11582	150.8
[M+NH4]+	195.16042	147.6
[M+K]+	216.08976	145.7
[M-H]-	176.11932	142.3
[M+Na-2H]-	198.10127	147.9
[M]+	177.12605	142.3
[M]-	177.12715	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe