CID 3042433

1-methylpiperazine-2,3-dione

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CN1CCNC(=O)C1=O
InChI
InChI=1S/C5H8N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H2,1H3,(H,6,8)
InChIKey
WXKVEQXAOQPAKO-UHFFFAOYSA-N
Compound name
1-methylpiperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

255
Patents

128.05858 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 124.6
[M+Na]+ 151.047798 132.7
[M-H]- 127.051304 124.1
[M+NH4]+ 146.092403 143.5
[M+K]+ 167.021738 131.1
[M+H-H2O]+ 111.055840 118.5
[M+HCOO]- 173.056781 142.8
[M+CH3COO]- 187.072431 167.6
[M+Na-2H]- 149.033246 130.0
[M]+ 128.05803142 120.2
[M]- 128.05912858 120.2
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