CID 451778

F'-dd-carbo-t

Structural Information

Molecular Formula
C11H15FN2O3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H]([C@@H]2F)CO
InChI
InChI=1S/C11H15FN2O3/c1-6-4-14(11(17)13-10(6)16)8-3-2-7(5-15)9(8)12/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8-,9-/m0/s1
InChIKey
PCWLPDLBUBGSKQ-CIUDSAMLSA-N
Compound name
1-[(1S,2S,3S)-2-fluoro-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10667 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11395 150.8
[M+Na]+ 265.09589 160.7
[M-H]- 241.09939 151.8
[M+NH4]+ 260.14049 166.7
[M+K]+ 281.06983 156.0
[M+H-H2O]+ 225.10393 143.1
[M+HCOO]- 287.10487 168.3
[M+CH3COO]- 301.12052 187.3
[M+Na-2H]- 263.08134 150.8
[M]+ 242.10612 147.9
[M]- 242.10722 147.9
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.