CID 5278744

D-2'f-c-d4u

Structural Information

Molecular Formula
C10H11FN2O3
SMILES
C1[C@@H](C=C([C@@H]1N2C=CC(=O)NC2=O)F)CO
InChI
InChI=1S/C10H11FN2O3/c11-7-3-6(5-14)4-8(7)13-2-1-9(15)12-10(13)16/h1-3,6,8,14H,4-5H2,(H,12,15,16)/t6-,8-/m1/s1
InChIKey
QXZFEGKVBDMAKS-HTRCEHHLSA-N
Compound name
1-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.07536 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08264 144.6
[M+Na]+ 249.06458 155.0
[M-H]- 225.06808 145.8
[M+NH4]+ 244.10918 160.9
[M+K]+ 265.03852 150.4
[M+H-H2O]+ 209.07262 136.7
[M+HCOO]- 271.07356 163.9
[M+CH3COO]- 285.08921 182.7
[M+Na-2H]- 247.05003 146.8
[M]+ 226.07481 142.3
[M]- 226.07591 142.3
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.