CID 100614

1-((pyrrolidine-1-carbonyl)methyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₉N₃O

SMILES

C1CCN(C1)C(=O)CN2CCNCC2

InChI

InChI=1S/C10H19N3O/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2

InChIKey

KYBCXTTWIOZBNR-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 740
Patents: 197.15282 Da
Monoisotopic Mass: -0.4
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]+	198.16010	148.9
[M+Na]+	220.14204	151.5
[M-H]-	196.14554	148.3
[M+NH4]+	215.18664	164.2
[M+K]+	236.11598	149.2
[M+H-H2O]+	180.15008	139.6
[M+HCOO]-	242.15102	162.0
[M+CH3COO]-	256.16667	178.8
[M+Na-2H]-	218.12749	149.4
[M]+	197.15227	139.8
[M]-	197.15337	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe