CID 3079433

125674-59-1

Structural Information

Molecular Formula
C8H9N2O4P
SMILES
C1C(ON=C1C2=CC=NC=C2)P(=O)(O)O
InChI
InChI=1S/C8H9N2O4P/c11-15(12,13)8-5-7(10-14-8)6-1-3-9-4-2-6/h1-4,8H,5H2,(H2,11,12,13)
InChIKey
IXCXBBZQQRCQDE-UHFFFAOYSA-N
Compound name
(3-pyridin-4-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03728 146.0
[M+Na]+ 251.01922 156.2
[M+NH4]+ 246.06382 151.3
[M+K]+ 266.99316 155.6
[M-H]- 227.02272 146.4
[M+Na-2H]- 249.00467 150.6
[M]+ 228.02945 147.2
[M]- 228.03055 147.2
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.