CID 10083833

Nsc687313

Structural Information

Molecular Formula
C11H15FN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@](O2)(CO)CF
InChI
InChI=1S/C11H15FN2O4/c1-7-4-14(10(17)13-9(7)16)8-2-3-11(5-12,6-15)18-8/h4,8,15H,2-3,5-6H2,1H3,(H,13,16,17)/t8-,11-/m1/s1
InChIKey
FKVYQXLAWWGQES-LDYMZIIASA-N
Compound name
1-[(2R,5S)-5-(fluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1016 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10888 152.3
[M+Na]+ 281.09082 162.2
[M-H]- 257.09432 153.9
[M+NH4]+ 276.13542 167.9
[M+K]+ 297.06476 159.3
[M+H-H2O]+ 241.09886 145.0
[M+HCOO]- 303.09980 169.1
[M+CH3COO]- 317.11545 187.9
[M+Na-2H]- 279.07627 155.2
[M]+ 258.10105 151.4
[M]- 258.10215 151.4
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.