CID 451931

Pmet

Structural Information

Molecular Formula
C8H13N2O6P
SMILES
CC1=CN(C(=O)NC1=O)CCOCP(=O)(O)O
InChI
InChI=1S/C8H13N2O6P/c1-6-4-10(8(12)9-7(6)11)2-3-16-5-17(13,14)15/h4H,2-3,5H2,1H3,(H,9,11,12)(H2,13,14,15)
InChIKey
RCQMOSJJIVCPJO-UHFFFAOYSA-N
Compound name
2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

473
Patents

264.05112 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05840 154.9
[M+Na]+ 287.04034 163.7
[M-H]- 263.04384 151.5
[M+NH4]+ 282.08494 167.5
[M+K]+ 303.01428 161.3
[M+H-H2O]+ 247.04838 146.0
[M+HCOO]- 309.04932 177.7
[M+CH3COO]- 323.06497 187.6
[M+Na-2H]- 285.02579 157.4
[M]+ 264.05057 158.0
[M]- 264.05167 158.0
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

patents stripe