CID 14411491

125092-66-2

Structural Information

Molecular Formula
C9H13N3O5
SMILES
C1CC(=O)N[C@@H]1C(=O)N[C@@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C9H13N3O5/c10-6(13)3-5(9(16)17)12-8(15)4-1-2-7(14)11-4/h4-5H,1-3H2,(H2,10,13)(H,11,14)(H,12,15)(H,16,17)/t4-,5-/m0/s1
InChIKey
BQZCHHUDWADDJM-WHFBIAKZSA-N
Compound name
(2S)-4-amino-4-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08553 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.092806 152.4
[M+Na]+ 266.074748 155.4
[M-H]- 242.078254 150.9
[M+NH4]+ 261.119353 167.0
[M+K]+ 282.048688 154.6
[M+H-H2O]+ 226.082790 145.6
[M+HCOO]- 288.083731 169.6
[M+CH3COO]- 302.099381 191.0
[M+Na-2H]- 264.060196 149.9
[M]+ 243.08498142 146.3
[M]- 243.08607858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.