CID 45479579

Phosphinomethylisomalate

Structural Information

Molecular Formula
C5H7O7P
SMILES
C(C(C(C(=O)O)O)C(=O)O)[P+](=O)[O-]
InChI
InChI=1S/C5H7O7P/c6-3(5(9)10)2(4(7)8)1-13(11)12/h2-3,6H,1H2,(H,7,8)(H,9,10)
InChIKey
YQEGOYHOURTPPX-UHFFFAOYSA-N
Compound name
(2,3-dicarboxy-3-hydroxypropyl)-oxido-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

209.99294 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.000216 140.2
[M+Na]+ 232.982158 145.1
[M-H]- 208.985664 134.2
[M+NH4]+ 228.026763 147.8
[M+K]+ 248.956098 140.7
[M+H-H2O]+ 192.990200 138.7
[M+HCOO]- 254.991141 153.6
[M+CH3COO]- 269.006791 167.7
[M+Na-2H]- 230.967606 139.4
[M]+ 209.99239142 137.9
[M]- 209.99348858 137.9
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.