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]+ 202.08223 142.6
[M+Na]+ 224.06417 147.6
[M-H]- 200.06767 141.2
[M+NH4]+ 219.10877 157.3
[M+K]+ 240.03811 147.1
[M+H-H2O]+ 184.07221 135.5
[M+HCOO]- 246.07315 158.3
[M+CH3COO]- 260.08880 181.4
[M+Na-2H]- 222.04962 143.5
[M]+ 201.07440 136.8
[M]- 201.07550 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.