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]+ 229.01079 145.2
[M+Na]+ 250.99273 150.4
[M-H]- 226.99623 137.6
[M+NH4]+ 246.03733 159.6
[M+K]+ 266.96667 150.3
[M+H-H2O]+ 211.00077 139.4
[M+HCOO]- 273.00171 164.0
[M+CH3COO]- 287.01736 175.6
[M+Na-2H]- 248.97818 147.3
[M]+ 228.00296 145.1
[M]- 228.00406 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.