CID 12790495

1187928-25-1

Structural Information

Molecular Formula

C₁₀H₁₅N₃O

SMILES

COC1=C(N=CC=C1)N2CCNCC2

InChI

InChI=1S/C10H15N3O/c1-14-9-3-2-4-12-10(9)13-7-5-11-6-8-13/h2-4,11H,5-8H2,1H3

InChIKey

KLNMSBVPRVBART-UHFFFAOYSA-N

Compound name

1-(3-methoxypyridin-2-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 193.1215 Da
Monoisotopic Mass: 0.6
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	144.5
[M+Na]+	216.11072	157.1
[M+NH4]+	211.15532	152.1
[M+K]+	232.08466	150.6
[M-H]-	192.11422	146.5
[M+Na-2H]-	214.09617	151.8
[M]+	193.12095	146.7
[M]-	193.12205	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe