CID 23724570

Gamma-glutamyl-gaba

Structural Information

Molecular Formula
C9H16N2O5
SMILES
C(CC(=O)O)CNC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKey
MKYPKZSGLSOGLL-LURJTMIESA-N
Compound name
(2S)-2-amino-5-(3-carboxypropylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

159
Patents

232.10593 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11321 153.0
[M+Na]+ 255.09515 156.2
[M+NH4]+ 250.13975 155.6
[M+K]+ 271.06909 156.0
[M-H]- 231.09865 148.3
[M+Na-2H]- 253.08060 150.8
[M]+ 232.10538 151.1
[M]- 232.10648 151.1
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