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

2717
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 126.2
[M+Na]+ 154.04746 132.6
[M-H]- 130.05096 124.7
[M+NH4]+ 149.09206 146.7
[M+K]+ 170.02140 132.4
[M+H-H2O]+ 114.05550 121.4
[M+HCOO]- 176.05644 148.3
[M+CH3COO]- 190.07209 171.5
[M+Na-2H]- 152.03291 129.8
[M]+ 131.05769 124.9
[M]- 131.05879 124.9
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