CID 5488264

N-acetyl-l-alanyl-l-alaninate

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)C
InChI
InChI=1S/C8H14N2O4/c1-4(9-6(3)11)7(12)10-5(2)8(13)14/h4-5H,1-3H3,(H,9,11)(H,10,12)(H,13,14)/t4-,5-/m0/s1
InChIKey
MJZMSEWWBGCBFM-WHFBIAKZSA-N
Compound name
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

104
Patents

202.09535 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 145.8
[M+Na]+ 225.08457 149.7
[M-H]- 201.08807 144.5
[M+NH4]+ 220.12917 163.0
[M+K]+ 241.05851 150.7
[M+H-H2O]+ 185.09261 140.0
[M+HCOO]- 247.09355 166.0
[M+CH3COO]- 261.10920 189.3
[M+Na-2H]- 223.07002 145.3
[M]+ 202.09480 144.4
[M]- 202.09590 144.4
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.