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]+ 195.00531 138.3
[M+Na]+ 216.98725 145.0
[M-H]- 192.99075 133.5
[M+NH4]+ 212.03185 155.8
[M+K]+ 232.96119 144.0
[M+H-H2O]+ 176.99529 132.3
[M+HCOO]- 238.99623 161.6
[M+CH3COO]- 253.01188 173.3
[M+Na-2H]- 214.97270 139.6
[M]+ 193.99748 139.1
[M]- 193.99858 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.