CID 2757364

693790-11-3

Structural Information

Molecular Formula
C7H11N3O4
SMILES
C1CN(CCN1C(=O)C(=O)O)C(=O)N
InChI
InChI=1S/C7H11N3O4/c8-7(14)10-3-1-9(2-4-10)5(11)6(12)13/h1-4H2,(H2,8,14)(H,12,13)
InChIKey
MRLWVWDFBJVGGE-UHFFFAOYSA-N
Compound name
2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07495 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.082226 142.6
[M+Na]+ 224.064168 147.6
[M-H]- 200.067674 141.2
[M+NH4]+ 219.108773 157.3
[M+K]+ 240.038108 147.1
[M+H-H2O]+ 184.072210 135.5
[M+HCOO]- 246.073151 158.3
[M+CH3COO]- 260.088801 181.4
[M+Na-2H]- 222.049616 143.5
[M]+ 201.07440142 136.8
[M]- 201.07549858 136.8
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

No patent data available for this compound.