CID 11557996

Chembl201378

Structural Information

Molecular Formula
C9H14NO6P
SMILES
CC1=C(C(=O)C=CN1CCOCP(=O)(O)O)O
InChI
InChI=1S/C9H14NO6P/c1-7-9(12)8(11)2-3-10(7)4-5-16-6-17(13,14)15/h2-3,12H,4-6H2,1H3,(H2,13,14,15)
InChIKey
JWEPXNAJVRZXBR-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.05588 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06316 155.8
[M+Na]+ 286.04510 164.1
[M-H]- 262.04860 153.5
[M+NH4]+ 281.08970 169.9
[M+K]+ 302.01904 162.2
[M+H-H2O]+ 246.05314 147.5
[M+HCOO]- 308.05408 179.4
[M+CH3COO]- 322.06973 188.5
[M+Na-2H]- 284.03055 157.9
[M]+ 263.05533 159.6
[M]- 263.05643 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.