CID 3042434

2,3-piperazinedione, 1-propyl-

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CCCN1CCNC(=O)C1=O
InChI
InChI=1S/C7H12N2O2/c1-2-4-9-5-3-8-6(10)7(9)11/h2-5H2,1H3,(H,8,10)
InChIKey
JZOCKFYENIIGQF-UHFFFAOYSA-N
Compound name
1-propylpiperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.08987 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 134.4
[M+Na]+ 179.07909 144.9
[M+NH4]+ 174.12369 141.0
[M+K]+ 195.05303 139.8
[M-H]- 155.08259 133.6
[M+Na-2H]- 177.06454 137.7
[M]+ 156.08932 135.3
[M]- 156.09042 135.3
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

patents stripe