CID 12850602

1-(piperidin-4-yl)-2,3-dihydro-1h-imidazol-2-one

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

C1CNCCC1N2C=CNC2=O

InChI

InChI=1S/C8H13N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h5-7,9H,1-4H2,(H,10,12)

InChIKey

ZYKUMBAVXKKVKL-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1H-imidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 167.10587 Da
Monoisotopic Mass: -0.5
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]+	168.113146	136.7
[M+Na]+	190.095088	143.1
[M-H]-	166.098594	136.1
[M+NH4]+	185.139693	153.1
[M+K]+	206.069028	139.2
[M+H-H2O]+	150.103130	128.4
[M+HCOO]-	212.104071	152.9
[M+CH3COO]-	226.119721	147.6
[M+Na-2H]-	188.080536	140.4
[M]+	167.10532142	129.1
[M]-	167.10641858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe