CID 5274107

2-[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethylphosphonic acid

Structural Information

Molecular Formula
C11H17N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CCP(=O)(O)O
InChI
InChI=1S/C11H17N2O6P/c1-7-6-13(11(15)12-10(7)14)9-3-2-8(19-9)4-5-20(16,17)18/h6,8-9H,2-5H2,1H3,(H,12,14,15)(H2,16,17,18)/t8-,9+/m0/s1
InChIKey
DZXCIHIWMJMSDO-DTWKUNHWSA-N
Compound name
2-[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08243 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08971 166.4
[M+Na]+ 327.07165 173.7
[M-H]- 303.07515 166.5
[M+NH4]+ 322.11625 177.5
[M+K]+ 343.04559 171.7
[M+H-H2O]+ 287.07969 157.2
[M+HCOO]- 349.08063 186.4
[M+CH3COO]- 363.09628 194.8
[M+Na-2H]- 325.05710 165.7
[M]+ 304.08188 166.6
[M]- 304.08298 166.6
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.