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]+ 185.12847 143.5
[M+Na]+ 207.11041 146.4
[M-H]- 183.11391 143.6
[M+NH4]+ 202.15501 157.0
[M+K]+ 223.08435 144.3
[M+H-H2O]+ 167.11845 135.4
[M+HCOO]- 229.11939 154.8
[M+CH3COO]- 243.13504 173.9
[M+Na-2H]- 205.09586 147.0
[M]+ 184.12064 132.7
[M]- 184.12174 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.