CID 23724544

Gamma-glutamyl-gamma-aminobutyraldehyde

Structural Information

Molecular Formula
C9H16N2O4
SMILES
C(CC=O)CNC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H16N2O4/c10-7(9(14)15)3-4-8(13)11-5-1-2-6-12/h6-7H,1-5,10H2,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKey
JZNLEPLZUABCSQ-ZETCQYMHSA-N
Compound name
(2S)-2-amino-5-oxo-5-(4-oxobutylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

9
Patents

216.11101 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11829 149.7
[M+Na]+ 239.10023 153.5
[M-H]- 215.10373 147.5
[M+NH4]+ 234.14483 166.2
[M+K]+ 255.07417 152.8
[M+H-H2O]+ 199.10827 143.4
[M+HCOO]- 261.10921 170.9
[M+CH3COO]- 275.12486 190.4
[M+Na-2H]- 237.08568 150.2
[M]+ 216.11046 149.0
[M]- 216.11156 149.0
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

patents stripe