CID 78328

4572-03-6

Structural Information

Molecular Formula

C₈H₁₉N₃

SMILES

CN1CCN(CC1)CCCN

InChI

InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3

InChIKey

RGUABPVONIGVAT-UHFFFAOYSA-N

Compound name

3-(4-methylpiperazin-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 2870
Patents: 157.1579 Da
Monoisotopic Mass: -0.8
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]+	158.16518	137.3
[M+Na]+	180.14712	147.1
[M+NH4]+	175.19172	145.2
[M+K]+	196.12106	141.0
[M-H]-	156.15062	138.6
[M+Na-2H]-	178.13257	141.7
[M]+	157.15735	138.7
[M]-	157.15845	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe