CID 126456477

(r)-2-(phosphonomethyl)malate

Structural Information

Molecular Formula
C5H9O8P
SMILES
C(C(=O)O)[C@](CP(=O)(O)O)(C(=O)O)O
InChI
InChI=1S/C5H9O8P/c6-3(7)1-5(10,4(8)9)2-14(11,12)13/h10H,1-2H2,(H,6,7)(H,8,9)(H2,11,12,13)/t5-/m0/s1
InChIKey
PHYKLCHCKYTLRX-YFKPBYRVSA-N
Compound name
(2R)-2-hydroxy-2-(phosphonomethyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

228.00351 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.010786 145.2
[M+Na]+ 250.992728 150.4
[M-H]- 226.996234 137.6
[M+NH4]+ 246.037333 159.6
[M+K]+ 266.966668 150.3
[M+H-H2O]+ 211.000770 139.4
[M+HCOO]- 273.001711 164.0
[M+CH3COO]- 287.017361 175.6
[M+Na-2H]- 248.978176 147.3
[M]+ 228.00296142 145.1
[M]- 228.00405858 145.1
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.