CID 21304731

5-oxopiperazine-2-carboxylic acid

Structural Information

Molecular Formula
C5H8N2O3
SMILES
C1C(NCC(=O)N1)C(=O)O
InChI
InChI=1S/C5H8N2O3/c8-4-2-6-3(1-7-4)5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)
InChIKey
CJFBRFWMGHQBFJ-UHFFFAOYSA-N
Compound name
5-oxopiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

144.0535 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06078 129.6
[M+Na]+ 167.04272 138.1
[M+NH4]+ 162.08732 135.1
[M+K]+ 183.01666 135.4
[M-H]- 143.04622 127.0
[M+Na-2H]- 165.02817 131.6
[M]+ 144.05295 129.4
[M]- 144.05405 129.4
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