CID 515104

5'-deoxy-fmau

Structural Information

Molecular Formula
C10H13FN2O4
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=C(C(=O)NC2=O)C)F)O
InChI
InChI=1S/C10H13FN2O4/c1-4-3-13(10(16)12-8(4)15)9-6(11)7(14)5(2)17-9/h3,5-7,9,14H,1-2H3,(H,12,15,16)/t5-,6+,7-,9-/m1/s1
InChIKey
MSKVIXDVIHZATN-JVZYCSMKSA-N
Compound name
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.08594 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09322 149.6
[M+Na]+ 267.07516 160.8
[M-H]- 243.07866 151.8
[M+NH4]+ 262.11976 164.3
[M+K]+ 283.04910 157.8
[M+H-H2O]+ 227.08320 142.3
[M+HCOO]- 289.08414 166.6
[M+CH3COO]- 303.09979 188.1
[M+Na-2H]- 265.06061 150.2
[M]+ 244.08539 148.8
[M]- 244.08649 148.8
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

No patent data available for this compound.