CID 544697

3-piperazin-1-ylpropanamide hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

C1CN(CCN1)CCC(=O)N

InChI

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

InChIKey

VVWMANLRLRFZIZ-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 157.1215 Da
Monoisotopic Mass: -1.5
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	136.7
[M+Na]+	180.110718	140.6
[M-H]-	156.114224	134.6
[M+NH4]+	175.155323	153.2
[M+K]+	196.084658	138.7
[M+H-H2O]+	140.118760	129.3
[M+HCOO]-	202.119701	153.2
[M+CH3COO]-	216.135351	175.3
[M+Na-2H]-	178.096166	140.5
[M]+	157.12095142	129.0
[M]-	157.12204858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe