CID 62352457

3-propylpiperazin-2-one

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CCCC1C(=O)NCCN1

InChI

InChI=1S/C7H14N2O/c1-2-3-6-7(10)9-5-4-8-6/h6,8H,2-5H2,1H3,(H,9,10)

InChIKey

XEYKZRANLMUCSI-UHFFFAOYSA-N

Compound name

3-propylpiperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 142.11061 Da
Monoisotopic Mass: 0.2
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]+	143.11789	133.3
[M+Na]+	165.09983	138.9
[M-H]-	141.10333	130.6
[M+NH4]+	160.14443	150.7
[M+K]+	181.07377	136.1
[M+H-H2O]+	125.10787	126.8
[M+HCOO]-	187.10881	148.9
[M+CH3COO]-	201.12446	168.8
[M+Na-2H]-	163.08528	137.8
[M]+	142.11006	126.6
[M]-	142.11116	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe