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]+ 244.09281 152.4
[M+Na]+ 266.07475 155.4
[M-H]- 242.07825 150.9
[M+NH4]+ 261.11935 167.0
[M+K]+ 282.04869 154.6
[M+H-H2O]+ 226.08279 145.6
[M+HCOO]- 288.08373 169.6
[M+CH3COO]- 302.09938 191.0
[M+Na-2H]- 264.06020 149.9
[M]+ 243.08498 146.3
[M]- 243.08608 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.