CID 62390742

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

Structural Information

Molecular Formula
C9H16N2O2
SMILES
C1COCCC1C2C(=O)NCCN2
InChI
InChI=1S/C9H16N2O2/c12-9-8(10-3-4-11-9)7-1-5-13-6-2-7/h7-8,10H,1-6H2,(H,11,12)
InChIKey
PEBFIMWXZDZXAV-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 143.5
[M+Na]+ 207.110408 146.4
[M-H]- 183.113914 143.6
[M+NH4]+ 202.155013 157.0
[M+K]+ 223.084348 144.3
[M+H-H2O]+ 167.118450 135.4
[M+HCOO]- 229.119391 154.8
[M+CH3COO]- 243.135041 173.9
[M+Na-2H]- 205.095856 147.0
[M]+ 184.12064142 132.7
[M]- 184.12173858 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.