CID 15017940

121574-43-4

Structural Information

Molecular Formula
C10H17N3O5
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)C
InChI
InChI=1S/C10H17N3O5/c1-5(12-6(2)14)9(16)13-7(10(17)18)3-4-8(11)15/h5,7H,3-4H2,1-2H3,(H2,11,15)(H,12,14)(H,13,16)(H,17,18)/t5-,7-/m0/s1
InChIKey
BALLJDWBMKIZEF-FSPLSTOPSA-N
Compound name
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-amino-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

103
Patents

259.11682 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12410 159.8
[M+Na]+ 282.10604 161.5
[M+NH4]+ 277.15064 161.5
[M+K]+ 298.07998 162.7
[M-H]- 258.10954 155.1
[M+Na-2H]- 280.09149 156.9
[M]+ 259.11627 157.5
[M]- 259.11737 157.5
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

patents stripe