CID 135859877

2-(phosphinatomethylidene)butanedioate

Structural Information

Molecular Formula
C5H5O6P
SMILES
C(/C(=C/[P+](=O)[O-])/C(=O)O)C(=O)O
InChI
InChI=1S/C5H5O6P/c6-4(7)1-3(5(8)9)2-12(10)11/h2H,1H2,(H,6,7)(H,8,9)/b3-2-
InChIKey
NEPFLCUYYRIPGR-IHWYPQMZSA-N
Compound name
[(Z)-2,3-dicarboxyprop-1-enyl]-oxido-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.98238 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98966 136.7
[M+Na]+ 214.97160 142.9
[M-H]- 190.97510 132.2
[M+NH4]+ 210.01620 153.9
[M+K]+ 230.94554 137.7
[M+H-H2O]+ 174.97964 135.4
[M+HCOO]- 236.98058 160.5
[M+CH3COO]- 250.99623 165.5
[M+Na-2H]- 212.95705 137.5
[M]+ 191.98183 134.9
[M]- 191.98293 134.9
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.