CID 118746

34885-02-4

Structural Information

Molecular Formula

C₇H₁₇N₃

SMILES

C1CN(CCN1)CCCN

InChI

InChI=1S/C7H17N3/c8-2-1-5-10-6-3-9-4-7-10/h9H,1-8H2

InChIKey

UVLSCMIEPPWCHZ-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4364
Patents: 143.14224 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]+	144.149516	134.5
[M+Na]+	166.131458	138.3
[M-H]-	142.134964	132.2
[M+NH4]+	161.176063	151.7
[M+K]+	182.105398	136.1
[M+H-H2O]+	126.139500	127.1
[M+HCOO]-	188.140441	151.6
[M+CH3COO]-	202.156091	173.3
[M+Na-2H]-	164.116906	139.5
[M]+	143.14169142	126.7
[M]-	143.14278858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe