CID 452146

6'-f-carbocyclicddu

Structural Information

Molecular Formula
C10H13FN2O3
SMILES
C1C[C@@H]([C@@H]([C@@H]1CO)F)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H13FN2O3/c11-9-6(5-14)1-2-7(9)13-4-3-8(15)12-10(13)16/h3-4,6-7,9,14H,1-2,5H2,(H,12,15,16)/t6-,7-,9+/m0/s1
InChIKey
BGMJYSAHUYZLAO-ACLDMZEESA-N
Compound name
1-[(1S,2R,3S)-2-fluoro-3-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09102 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09830 146.4
[M+Na]+ 251.08024 155.8
[M-H]- 227.08374 147.1
[M+NH4]+ 246.12484 162.5
[M+K]+ 267.05418 151.3
[M+H-H2O]+ 211.08828 138.5
[M+HCOO]- 273.08922 164.2
[M+CH3COO]- 287.10487 183.0
[M+Na-2H]- 249.06569 147.6
[M]+ 228.09047 142.6
[M]- 228.09157 142.6
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.