CID 147392

1-aminopiperazine

Structural Information

Molecular Formula

C₄H₁₁N₃

SMILES

C1CN(CCN1)N

InChI

InChI=1S/C4H11N3/c5-7-3-1-6-2-4-7/h6H,1-5H2

InChIKey

IYPZRUYMFDWKSS-UHFFFAOYSA-N

Compound name

piperazin-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 38
References: 4213
Patents: 101.0953 Da
Monoisotopic Mass: -1.1
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]+	102.102576	121.3
[M+Na]+	124.084518	126.5
[M-H]-	100.088024	119.6
[M+NH4]+	119.129123	140.2
[M+K]+	140.058458	125.0
[M+H-H2O]+	84.092560	114.5
[M+HCOO]-	146.093501	139.4
[M+CH3COO]-	160.109151	164.1
[M+Na-2H]-	122.069966	127.9
[M]+	101.09475142	112.5
[M]-	101.09584858	112.5

Literature stripe

literature stripe

Patent stripe

patents stripe