CID 14084856

116818-82-7

Structural Information

Molecular Formula

C₁₀H₁₉N₃O

SMILES

CN1CCN(CC1)C(=O)C2CCCN2

InChI

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

InChIKey

FXYNRDLXGBFSTB-UHFFFAOYSA-N

Compound name

(4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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]+	198.16010	149.1
[M+Na]+	220.14204	152.7
[M-H]-	196.14554	149.0
[M+NH4]+	215.18664	164.8
[M+K]+	236.11598	150.4
[M+H-H2O]+	180.15008	140.3
[M+HCOO]-	242.15102	162.2
[M+CH3COO]-	256.16667	179.9
[M+Na-2H]-	218.12749	148.9
[M]+	197.15227	140.4
[M]-	197.15337	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe