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 140.5
[M+Na]+ 232.98216 146.2
[M-H]- 208.98566 134.7
[M+NH4]+ 228.02676 144.1
[M+K]+ 248.95610 141.3
[M+H-H2O]+ 192.99020 139.6
[M+HCOO]- 254.99114 157.1
[M+CH3COO]- 269.00679 166.1
[M+Na-2H]- 230.96761 143.8
[M]+ 209.99239 139.0
[M]- 209.99349 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

No patent data available for this compound.