CID 16777642

1-cyclobutanecarbonylpiperazine

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CC(C1)C(=O)N2CCNCC2

InChI

InChI=1S/C9H16N2O/c12-9(8-2-1-3-8)11-6-4-10-5-7-11/h8,10H,1-7H2

InChIKey

FKHMNODTEFBVPC-UHFFFAOYSA-N

Compound name

cyclobutyl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 168.12627 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]+	169.13355	137.2
[M+Na]+	191.11549	139.6
[M-H]-	167.11899	138.2
[M+NH4]+	186.16009	147.2
[M+K]+	207.08943	140.9
[M+H-H2O]+	151.12353	124.3
[M+HCOO]-	213.12447	151.1
[M+CH3COO]-	227.14012	178.3
[M+Na-2H]-	189.10094	140.3
[M]+	168.12572	137.9
[M]-	168.12682	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe