CID 6427052

L-glutamyl-glycine

Structural Information

Molecular Formula
C7H12N2O5
SMILES
C(CC(=O)O)[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/t4-/m0/s1
InChIKey
LSPKYLAFTPBWIL-BYPYZUCNSA-N
Compound name
(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4566
Patents

204.07462 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08190 143.7
[M+Na]+ 227.06384 147.6
[M-H]- 203.06734 140.5
[M+NH4]+ 222.10844 159.7
[M+K]+ 243.03778 147.7
[M+H-H2O]+ 187.07188 137.8
[M+HCOO]- 249.07282 163.3
[M+CH3COO]- 263.08847 185.3
[M+Na-2H]- 225.04929 143.5
[M]+ 204.07407 141.2
[M]- 204.07517 141.2
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