CID 231360

Piperazin-2-one

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1CNC(=O)CN1
InChI
InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)
InChIKey
IWELDVXSEVIIGI-UHFFFAOYSA-N
Compound name
piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

44419
Patents

100.06366 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 120.1
[M+Na]+ 123.052878 125.9
[M-H]- 99.056384 117.5
[M+NH4]+ 118.097483 138.8
[M+K]+ 139.026818 123.9
[M+H-H2O]+ 83.060920 113.8
[M+HCOO]- 145.061861 136.6
[M+CH3COO]- 159.077511 158.5
[M+Na-2H]- 121.038326 126.8
[M]+ 100.06311142 111.8
[M]- 100.06420858 111.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe