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

44
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 135.5
[M-H]- 143.04622 126.0
[M+NH4]+ 162.08732 145.9
[M+K]+ 183.01666 133.1
[M+H-H2O]+ 127.05076 123.5
[M+HCOO]- 189.05170 144.0
[M+CH3COO]- 203.06735 164.6
[M+Na-2H]- 165.02817 133.4
[M]+ 144.05295 121.8
[M]- 144.05405 121.8
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