CID 4285118

1-methyl-4-(oxolane-2-carbonyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CN1CCN(CC1)C(=O)C2CCCO2

InChI

InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3

InChIKey

ZSHARPJAQXGCMB-UHFFFAOYSA-N

Compound name

(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 198.13683 Da
Monoisotopic Mass: -0.1
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]+	199.144106	146.6
[M+Na]+	221.126048	150.6
[M-H]-	197.129554	149.8
[M+NH4]+	216.170653	163.0
[M+K]+	237.099988	150.6
[M+H-H2O]+	181.134090	138.5
[M+HCOO]-	243.135031	161.8
[M+CH3COO]-	257.150681	181.7
[M+Na-2H]-	219.111496	147.7
[M]+	198.13628142	141.2
[M]-	198.13737858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe