CID 2783936

4-(hydroxy(methyl)phosphoryl)-2-oxobutanoate

Structural Information

Molecular Formula
C5H9O5P
SMILES
CP(=O)(CCC(=O)C(=O)O)O
InChI
InChI=1S/C5H9O5P/c1-11(9,10)3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
YJTNHDYMQPHXFO-UHFFFAOYSA-N
Compound name
4-[hydroxy(methyl)phosphoryl]-2-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

371
Patents

180.01875 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02603 136.5
[M+Na]+ 203.00797 143.5
[M-H]- 179.01147 133.2
[M+NH4]+ 198.05257 155.5
[M+K]+ 218.98191 143.4
[M+H-H2O]+ 163.01601 130.5
[M+HCOO]- 225.01695 161.0
[M+CH3COO]- 239.03260 175.1
[M+Na-2H]- 200.99342 138.1
[M]+ 180.01820 138.6
[M]- 180.01930 138.6
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