CID 21691259

2-(piperazin-1-yl)propanamide dihydrochloride

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

CC(C(=O)N)N1CCNCC1

InChI

InChI=1S/C7H15N3O/c1-6(7(8)11)10-4-2-9-3-5-10/h6,9H,2-5H2,1H3,(H2,8,11)

InChIKey

DXLMAWKTIWMTIM-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 157.1215 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]+	158.12878	137.1
[M+Na]+	180.11072	140.8
[M-H]-	156.11422	135.1
[M+NH4]+	175.15532	153.5
[M+K]+	196.08466	139.4
[M+H-H2O]+	140.11876	129.9
[M+HCOO]-	202.11970	152.6
[M+CH3COO]-	216.13535	176.3
[M+Na-2H]-	178.09617	139.7
[M]+	157.12095	128.8
[M]-	157.12205	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe