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

literature stripe

Patent stripe

patents stripe