CID 90657363

3-phosphonomethylmalate

Structural Information

Molecular Formula
C5H9O8P
SMILES
C(C(C(C(=O)O)O)C(=O)O)P(=O)(O)O
InChI
InChI=1S/C5H9O8P/c6-3(5(9)10)2(4(7)8)1-14(11,12)13/h2-3,6H,1H2,(H,7,8)(H,9,10)(H2,11,12,13)
InChIKey
GYZWJVABCVOQAV-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(phosphonomethyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

228.00351 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01079 145.6
[M+Na]+ 250.99273 148.4
[M+NH4]+ 246.03733 146.5
[M+K]+ 266.96667 151.9
[M-H]- 226.99623 136.6
[M+Na-2H]- 248.97818 141.3
[M]+ 228.00296 142.3
[M]- 228.00406 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

No literature data available for this compound.

Patent stripe

patents stripe