CID 3033744

N-hydroxy-l-aspartate

Structural Information

Molecular Formula
C4H7NO5
SMILES
C([C@@H](C(=O)O)NO)C(=O)O
InChI
InChI=1S/C4H7NO5/c6-3(7)1-2(5-10)4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey
YDBVAWZTOAZPTJ-REOHCLBHSA-N
Compound name
(2S)-2-(hydroxyamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

284
Patents

149.03242 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03970 128.6
[M+Na]+ 172.02164 134.3
[M+NH4]+ 167.06624 132.8
[M+K]+ 187.99558 134.1
[M-H]- 148.02514 124.0
[M+Na-2H]- 170.00709 128.3
[M]+ 149.03187 127.3
[M]- 149.03297 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

patents stripe