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

12
Patents

158.06914 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 133.8
[M+Na]+ 181.05836 138.7
[M-H]- 157.06186 131.2
[M+NH4]+ 176.10296 150.0
[M+K]+ 197.03230 137.5
[M+H-H2O]+ 141.06640 127.2
[M+HCOO]- 203.06734 148.4
[M+CH3COO]- 217.08299 168.4
[M+Na-2H]- 179.04381 137.1
[M]+ 158.06859 127.1
[M]- 158.06969 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