CID 128841

Alanine glutamate

Structural Information

Molecular Formula
C8H14N2O5
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1
InChIKey
VYZAGTDAHUIRQA-WHFBIAKZSA-N
Compound name
(2S)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

19
References

1039
Patents

218.09027 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09755 148.8
[M+Na]+ 241.07949 152.0
[M+NH4]+ 236.12409 151.4
[M+K]+ 257.05343 152.8
[M-H]- 217.08299 143.9
[M+Na-2H]- 239.06494 146.5
[M]+ 218.08972 146.8
[M]- 218.09082 146.8
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