CID 475905

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

Structural Information

Molecular Formula
C9H13N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](OC2)P(=O)(O)O
InChI
InChI=1S/C9H13N2O6P/c1-5-3-11(9(13)10-8(5)12)6-2-7(17-4-6)18(14,15)16/h3,6-7H,2,4H2,1H3,(H,10,12,13)(H2,14,15,16)/t6-,7+/m1/s1
InChIKey
QAFDVABTEZGNPN-RQJHMYQMSA-N
Compound name
[(2S,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05112 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05840 157.1
[M+Na]+ 299.04034 165.3
[M-H]- 275.04384 157.6
[M+NH4]+ 294.08494 169.4
[M+K]+ 315.01428 163.7
[M+H-H2O]+ 259.04838 148.4
[M+HCOO]- 321.04932 177.8
[M+CH3COO]- 335.06497 188.7
[M+Na-2H]- 297.02579 157.5
[M]+ 276.05057 156.6
[M]- 276.05167 156.6
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.