CID 11521234

1-(5-methoxypyridin-3-yl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N₃O

SMILES

COC1=CN=CC(=C1)N2CCNCC2

InChI

InChI=1S/C10H15N3O/c1-14-10-6-9(7-12-8-10)13-4-2-11-3-5-13/h6-8,11H,2-5H2,1H3

InChIKey

HSIGWPYNPCNTCE-UHFFFAOYSA-N

Compound name

1-(5-methoxypyridin-3-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 193.1215 Da
Monoisotopic Mass: 0.3
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]+	194.12878	144.4
[M+Na]+	216.11072	150.1
[M-H]-	192.11422	144.7
[M+NH4]+	211.15532	158.6
[M+K]+	232.08466	146.8
[M+H-H2O]+	176.11876	135.1
[M+HCOO]-	238.11970	160.4
[M+CH3COO]-	252.13535	154.9
[M+Na-2H]-	214.09617	150.4
[M]+	193.12095	139.2
[M]-	193.12205	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe