CID 90658413

2-keto-5-phospho-3-cis-pentenoate

Structural Information

Molecular Formula
C5H7O6P
SMILES
C(/C=C\C(=O)C(=O)O)P(=O)(O)O
InChI
InChI=1S/C5H7O6P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-2H,3H2,(H,7,8)(H2,9,10,11)/b2-1-
InChIKey
VWRVDHFDQXZMSP-UPHRSURJSA-N
Compound name
(Z)-2-oxo-5-phosphonopent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

193.99803 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.005306 138.3
[M+Na]+ 216.987248 145.0
[M-H]- 192.990754 133.5
[M+NH4]+ 212.031853 155.8
[M+K]+ 232.961188 144.0
[M+H-H2O]+ 176.995290 132.3
[M+HCOO]- 238.996231 161.6
[M+CH3COO]- 253.011881 173.3
[M+Na-2H]- 214.972696 139.6
[M]+ 193.99748142 139.1
[M]- 193.99857858 139.1
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.