CID 5270771

Lb80315

Structural Information

Molecular Formula
C10H15N2O6P
SMILES
CC1=CN(C(=O)NC1=O)CC2(CC2)OCP(=O)(O)O
InChI
InChI=1S/C10H15N2O6P/c1-7-4-12(9(14)11-8(7)13)5-10(2-3-10)18-6-19(15,16)17/h4H,2-3,5-6H2,1H3,(H,11,13,14)(H2,15,16,17)
InChIKey
CCADTCDFWSSIAM-UHFFFAOYSA-N
Compound name
[1-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

290.06677 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07405 167.4
[M+Na]+ 313.05599 177.8
[M-H]- 289.05949 168.1
[M+NH4]+ 308.10059 176.2
[M+K]+ 329.02993 173.7
[M+H-H2O]+ 273.06403 159.5
[M+HCOO]- 335.06497 189.2
[M+CH3COO]- 349.08062 194.6
[M+Na-2H]- 311.04144 170.3
[M]+ 290.06622 172.9
[M]- 290.06732 172.9
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.