CID 129297

Glutamate-1-semialdehyde

Structural Information

Molecular Formula
C5H9NO3
SMILES
C(CC(=O)O)[C@@H](C=O)N
InChI
InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1
InChIKey
MPUUQNGXJSEWTF-BYPYZUCNSA-N
Compound name
(4S)-4-amino-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

2607
Patents

131.05824 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 126.5
[M+Na]+ 154.04746 134.0
[M+NH4]+ 149.09206 132.4
[M+K]+ 170.02140 131.3
[M-H]- 130.05096 124.1
[M+Na-2H]- 152.03291 128.0
[M]+ 131.05769 126.3
[M]- 131.05879 126.3
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