CID 14463

(3r)-3-hydroxy-l-aspartic acid

Structural Information

Molecular Formula
C4H7NO5
SMILES
[C@H]([C@H](C(=O)O)O)(C(=O)O)N
InChI
InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1
InChIKey
YYLQUHNPNCGKJQ-NHYDCYSISA-N
Compound name
(2S,3R)-2-amino-3-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

174
References

1517
Patents

149.03242 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03970 128.3
[M+Na]+ 172.02164 133.6
[M-H]- 148.02514 124.2
[M+NH4]+ 167.06624 146.2
[M+K]+ 187.99558 134.0
[M+H-H2O]+ 132.02968 123.6
[M+HCOO]- 194.03062 146.1
[M+CH3COO]- 208.04627 170.2
[M+Na-2H]- 170.00709 128.8
[M]+ 149.03187 124.4
[M]- 149.03297 124.4
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