CID 19704824

1-(1-methylpyrrolidine-2-carbonyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₉N₃O

SMILES

CN1CCCC1C(=O)N2CCNCC2

InChI

InChI=1S/C10H19N3O/c1-12-6-2-3-9(12)10(14)13-7-4-11-5-8-13/h9,11H,2-8H2,1H3

InChIKey

AMYCICQYTOATBX-UHFFFAOYSA-N

Compound name

(1-methylpyrrolidin-2-yl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 197.15282 Da
Monoisotopic Mass: -0.3
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]+	198.160096	149.1
[M+Na]+	220.142038	152.7
[M-H]-	196.145544	149.0
[M+NH4]+	215.186643	164.8
[M+K]+	236.115978	150.4
[M+H-H2O]+	180.150080	140.3
[M+HCOO]-	242.151021	162.2
[M+CH3COO]-	256.166671	179.9
[M+Na-2H]-	218.127486	148.9
[M]+	197.15227142	140.4
[M]-	197.15336858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe