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]+ 229.09314 149.7
[M+Na]+ 251.07508 155.1
[M-H]- 227.07858 146.8
[M+NH4]+ 246.11968 162.3
[M+K]+ 267.04902 152.2
[M+H-H2O]+ 211.08312 142.6
[M+HCOO]- 273.08406 165.0
[M+CH3COO]- 287.09971 190.1
[M+Na-2H]- 249.06053 148.7
[M]+ 228.08531 141.6
[M]- 228.08641 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.