CID 21145142

(3r)-3-hydroxy-2-oxo-4-phosphonooxybutanoate

Structural Information

Molecular Formula
C4H7O8P
SMILES
C([C@H](C(=O)C(=O)O)O)OP(=O)(O)O
InChI
InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKey
MZJFVXDTNBHTKZ-UWTATZPHSA-N
Compound name
(3R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

42
Patents

213.98785 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99513 139.3
[M+Na]+ 236.97707 144.9
[M-H]- 212.98057 133.1
[M+NH4]+ 232.02167 154.8
[M+K]+ 252.95101 145.7
[M+H-H2O]+ 196.98511 132.9
[M+HCOO]- 258.98605 160.5
[M+CH3COO]- 273.00170 175.2
[M+Na-2H]- 234.96252 139.8
[M]+ 213.98730 140.6
[M]- 213.98840 140.6
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