CID 123935

L-alanyl-l-glutamine

Structural Information

Molecular Formula
C8H15N3O4
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
InChIKey
HJCMDXDYPOUFDY-WHFBIAKZSA-N
Compound name
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

313
References

72767
Patents

217.10626 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11354 149.8
[M+Na]+ 240.09548 152.4
[M+NH4]+ 235.14008 152.7
[M+K]+ 256.06942 152.9
[M-H]- 216.09898 146.0
[M+Na-2H]- 238.08093 147.7
[M]+ 217.10571 148.0
[M]- 217.10681 148.0
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

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