CID 449304

4-phospho-d-erythronic acid

Structural Information

Molecular Formula
C4H9O8P
SMILES
C([C@H]([C@H](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)/t2-,3-/m1/s1
InChIKey
ZCZXOHUILRHRQJ-PWNYCUMCSA-N
Compound name
(2R,3R)-2,3-dihydroxy-4-phosphonooxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

145
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 142.2
[M+Na]+ 238.99273 147.0
[M-H]- 214.99623 134.5
[M+NH4]+ 234.03733 157.0
[M+K]+ 254.96667 147.7
[M+H-H2O]+ 199.00077 135.8
[M+HCOO]- 261.00171 161.7
[M+CH3COO]- 275.01736 174.0
[M+Na-2H]- 236.97818 142.0
[M]+ 216.00296 142.3
[M]- 216.00406 142.3
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