CID 5270779

Chembl372495

Structural Information

Molecular Formula
C11H13FN2O3
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](C=C2F)CO
InChI
InChI=1S/C11H13FN2O3/c1-6-4-14(11(17)13-10(6)16)9-3-7(5-15)2-8(9)12/h2,4,7,9,15H,3,5H2,1H3,(H,13,16,17)/t7-,9-/m1/s1
InChIKey
OQXBCOVQEAORFZ-VXNVDRBHSA-N
Compound name
1-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.09102 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09830 149.0
[M+Na]+ 263.08024 159.9
[M-H]- 239.08374 150.4
[M+NH4]+ 258.12484 165.1
[M+K]+ 279.05418 155.1
[M+H-H2O]+ 223.08828 141.3
[M+HCOO]- 285.08922 168.0
[M+CH3COO]- 299.10487 187.0
[M+Na-2H]- 261.06569 150.0
[M]+ 240.09047 147.5
[M]- 240.09157 147.5
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.