CID 2756536

691394-08-8

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

C1CN(CCN1)C(=O)CCN

InChI

InChI=1S/C7H15N3O/c8-2-1-7(11)10-5-3-9-4-6-10/h9H,1-6,8H2

InChIKey

KIPRVSOTALWIDV-UHFFFAOYSA-N

Compound name

3-amino-1-piperazin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 157.1215 Da
Monoisotopic Mass: -1.9
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]+	158.128776	137.0
[M+Na]+	180.110718	141.0
[M-H]-	156.114224	134.9
[M+NH4]+	175.155323	153.6
[M+K]+	196.084658	139.1
[M+H-H2O]+	140.118760	129.7
[M+HCOO]-	202.119701	153.6
[M+CH3COO]-	216.135351	174.7
[M+Na-2H]-	178.096166	140.8
[M]+	157.12095142	129.3
[M]-	157.12204858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe