CID 16782920

953748-71-5

Structural Information

Molecular Formula

C₁₁H₁₈N₄

SMILES

CN1CCN(CC1)C2=C(C=CC=N2)CN

InChI

InChI=1S/C11H18N4/c1-14-5-7-15(8-6-14)11-10(9-12)3-2-4-13-11/h2-4H,5-9,12H2,1H3

InChIKey

LUCQKISFLSLQBI-UHFFFAOYSA-N

Compound name

[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.15315 Da
Monoisotopic Mass: 0.0
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]+	207.16043	148.7
[M+Na]+	229.14237	160.9
[M+NH4]+	224.18697	156.4
[M+K]+	245.11631	154.2
[M-H]-	205.14587	151.8
[M+Na-2H]-	227.12782	155.8
[M]+	206.15260	151.1
[M]-	206.15370	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe