CID 45479491

Phosphinomethylmalate

Structural Information

Molecular Formula
C5H7O7P
SMILES
C(C(=O)O)C(C[P+](=O)[O-])(C(=O)O)O
InChI
InChI=1S/C5H7O7P/c6-3(7)1-5(10,4(8)9)2-13(11)12/h10H,1-2H2,(H,6,7)(H,8,9)
InChIKey
GXEHPIIAXBKEKL-UHFFFAOYSA-N
Compound name
(2,3-dicarboxy-2-hydroxypropyl)-oxido-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

209.99294 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00022 138.7
[M+Na]+ 232.98216 145.1
[M+NH4]+ 228.02676 141.6
[M+K]+ 248.95610 158.4
[M-H]- 208.98566 132.8
[M+Na-2H]- 230.96761 136.6
[M]+ 209.99239 137.0
[M]- 209.99349 137.0
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.