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

literature stripe

Patent stripe

patents stripe