CID 2050152

Oxo-piperazin-1-yl-acetic acid

Structural Information

Molecular Formula
C6H10N2O3
SMILES
C1CN(CCN1)C(=O)C(=O)O
InChI
InChI=1S/C6H10N2O3/c9-5(6(10)11)8-3-1-7-2-4-8/h7H,1-4H2,(H,10,11)
InChIKey
OOLCKTWCPKNNOG-UHFFFAOYSA-N
Compound name
2-oxo-2-piperazin-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

158.06914 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.076416 133.8
[M+Na]+ 181.058358 138.7
[M-H]- 157.061864 131.2
[M+NH4]+ 176.102963 150.0
[M+K]+ 197.032298 137.5
[M+H-H2O]+ 141.066400 127.2
[M+HCOO]- 203.067341 148.4
[M+CH3COO]- 217.082991 168.4
[M+Na-2H]- 179.043806 137.1
[M]+ 158.06859142 127.1
[M]- 158.06968858 127.1
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