CID 123913

Glycyl-l-glutamine

Structural Information

Molecular Formula
C7H13N3O4
SMILES
C(CC(=O)N)[C@@H](C(=O)O)NC(=O)CN
InChI
InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1
InChIKey
PNMUAGGSDZXTHX-BYPYZUCNSA-N
Compound name
(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

120
References

3960
Patents

203.0906 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09788 144.8
[M+Na]+ 226.07982 148.3
[M-H]- 202.08332 142.4
[M+NH4]+ 221.12442 160.9
[M+K]+ 242.05376 148.5
[M+H-H2O]+ 186.08786 138.3
[M+HCOO]- 248.08880 165.9
[M+CH3COO]- 262.10445 190.3
[M+Na-2H]- 224.06527 144.2
[M]+ 203.09005 140.8
[M]- 203.09115 140.8
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