CID 5483957

Chebi:233106

Structural Information

Molecular Formula
C11H19N3O5
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)C
InChI
InChI=1S/C11H19N3O5/c1-5(12-8(4)15)9(16)13-6(2)10(17)14-7(3)11(18)19/h5-7H,1-4H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/t5-,6-,7-/m0/s1
InChIKey
DRYOODAJROGPQO-ACZMJKKPSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

273.13248 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13976 164.5
[M+Na]+ 296.12170 166.1
[M-H]- 272.12520 162.9
[M+NH4]+ 291.16630 178.3
[M+K]+ 312.09564 167.9
[M+H-H2O]+ 256.12974 157.9
[M+HCOO]- 318.13068 183.2
[M+CH3COO]- 332.14633 206.5
[M+Na-2H]- 294.10715 160.6
[M]+ 273.13193 162.8
[M]- 273.13303 162.8
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.