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

8
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 133.6
[M+Na]+ 179.07909 140.8
[M-H]- 155.08259 132.8
[M+NH4]+ 174.12369 151.3
[M+K]+ 195.05303 138.8
[M+H-H2O]+ 139.08713 127.1
[M+HCOO]- 201.08807 151.2
[M+CH3COO]- 215.10372 173.7
[M+Na-2H]- 177.06454 137.9
[M]+ 156.08932 129.9
[M]- 156.09042 129.9
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