CID 440851

L-4-hydroxyglutamate semialdehyde

Structural Information

Molecular Formula
C5H9NO4
SMILES
C([C@H](C=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H9NO4/c6-4(5(9)10)1-3(8)2-7/h2-4,8H,1,6H2,(H,9,10)/t3-,4+/m1/s1
InChIKey
XCXUZPXOFFRGGP-DMTCNVIQSA-N
Compound name
(2S,4R)-2-amino-4-hydroxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

147.05316 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 129.8
[M+Na]+ 170.04238 135.4
[M-H]- 146.04588 126.9
[M+NH4]+ 165.08698 148.7
[M+K]+ 186.01632 135.3
[M+H-H2O]+ 130.05042 124.9
[M+HCOO]- 192.05136 149.5
[M+CH3COO]- 206.06701 172.2
[M+Na-2H]- 168.02783 131.5
[M]+ 147.05261 127.3
[M]- 147.05371 127.3
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

No patent data available for this compound.