CID 486179

[(3ar,4r,6r,6ar)-4-(2,4-dioxopyrimidin-1-yl)-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid

Structural Information

Molecular Formula
C10H13N2O9P
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)P(=O)(O)O
InChI
InChI=1S/C10H13N2O9P/c13-3-4-6-7(21-10(20-6)22(16,17)18)8(19-4)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,10,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6-,7-,8-,10?/m1/s1
InChIKey
CVWKNUQTECCJIZ-OYMHBMIISA-N
Compound name
[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.03586 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04314 168.6
[M+Na]+ 359.02508 175.7
[M-H]- 335.02858 170.1
[M+NH4]+ 354.06968 177.4
[M+K]+ 374.99902 177.1
[M+H-H2O]+ 319.03312 161.7
[M+HCOO]- 381.03406 184.7
[M+CH3COO]- 395.04971 198.4
[M+Na-2H]- 357.01053 169.0
[M]+ 336.03531 170.6
[M]- 336.03641 170.6
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.