CID 2760057

104396-10-3

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

CC1=C(N=CC=C1)N2CCNCC2

InChI

InChI=1S/C10H15N3/c1-9-3-2-4-12-10(9)13-7-5-11-6-8-13/h2-4,11H,5-8H2,1H3

InChIKey

VVBVRZMTWMATNG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 222
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	141.4
[M+Na]+	200.11582	147.2
[M-H]-	176.11932	141.7
[M+NH4]+	195.16042	156.3
[M+K]+	216.08976	143.4
[M+H-H2O]+	160.12386	132.3
[M+HCOO]-	222.12480	157.2
[M+CH3COO]-	236.14045	152.0
[M+Na-2H]-	198.10127	147.4
[M]+	177.12605	134.8
[M]-	177.12715	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe