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
3
Annotation Hits

1
References

1
Patents

209.99294 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.000216 140.5
[M+Na]+ 232.982158 146.2
[M-H]- 208.985664 134.7
[M+NH4]+ 228.026763 144.1
[M+K]+ 248.956098 141.3
[M+H-H2O]+ 192.990200 139.6
[M+HCOO]- 254.991141 157.1
[M+CH3COO]- 269.006791 166.1
[M+Na-2H]- 230.967606 143.8
[M]+ 209.99239142 139.0
[M]- 209.99348858 139.0
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

patents stripe