CID 55296257

1284244-13-8

Structural Information

Molecular Formula

C₉H₁₆N₂O₂

SMILES

C1COCCC1N2CCNCC2=O

InChI

InChI=1S/C9H16N2O2/c12-9-7-10-3-4-11(9)8-1-5-13-6-2-8/h8,10H,1-7H2

InChIKey

DSOLFSSRDLXUTP-UHFFFAOYSA-N

Compound name

1-(oxan-4-yl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 184.12119 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]+	185.128466	142.7
[M+Na]+	207.110408	146.1
[M-H]-	183.113914	144.3
[M+NH4]+	202.155013	157.0
[M+K]+	223.084348	144.9
[M+H-H2O]+	167.118450	134.3
[M+HCOO]-	229.119391	155.5
[M+CH3COO]-	243.135041	176.4
[M+Na-2H]-	205.095856	146.8
[M]+	184.12064142	133.7
[M]-	184.12173858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe