CID 138040552

88206-98-8

Structural Information

Molecular Formula
C8H12N4O4
SMILES
C([C@H]1C(=O)N[C@H](C(=O)N1)CC(=O)N)C(=O)N
InChI
InChI=1S/C8H12N4O4/c9-5(13)1-3-7(15)12-4(2-6(10)14)8(16)11-3/h3-4H,1-2H2,(H2,9,13)(H2,10,14)(H,11,16)(H,12,15)/t3-,4-/m0/s1
InChIKey
VRHCRFVPPMTPGK-IMJSIDKUSA-N
Compound name
2-[(2S,5S)-5-(2-amino-2-oxoethyl)-3,6-dioxopiperazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08586 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.093136 149.7
[M+Na]+ 251.075078 155.1
[M-H]- 227.078584 146.8
[M+NH4]+ 246.119683 162.3
[M+K]+ 267.049018 152.2
[M+H-H2O]+ 211.083120 142.6
[M+HCOO]- 273.084061 165.0
[M+CH3COO]- 287.099711 190.1
[M+Na-2H]- 249.060526 148.7
[M]+ 228.08531142 141.6
[M]- 228.08640858 141.6
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.