CID 696

Chembl1161469

Structural Information

Molecular Formula
C4H9O8P
SMILES
C(C(C(C(=O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)
InChIKey
ZCZXOHUILRHRQJ-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-4-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

117
Patents

216.00351 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01079 142.6
[M+Na]+ 238.99273 145.8
[M+NH4]+ 234.03733 144.0
[M+K]+ 254.96667 148.8
[M-H]- 214.99623 134.0
[M+Na-2H]- 236.97818 138.9
[M]+ 216.00296 139.5
[M]- 216.00406 139.5
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.