CID 2772402

287114-32-3

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

C1CNCCN(C1)C2=CC=CC=N2

InChI

InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2

InChIKey

YIVVBOYHOANILT-UHFFFAOYSA-N

Compound name

1-pyridin-2-yl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 177.1266 Da
Monoisotopic Mass: 1.0
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	138.1
[M+Na]+	200.11582	141.7
[M-H]-	176.11932	139.3
[M+NH4]+	195.16042	151.6
[M+K]+	216.08976	142.3
[M+H-H2O]+	160.12386	128.3
[M+HCOO]-	222.12480	153.4
[M+CH3COO]-	236.14045	148.0
[M+Na-2H]-	198.10127	144.4
[M]+	177.12605	128.4
[M]-	177.12715	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe