CID 448302

(4s)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1h)-one

Structural Information

Molecular Formula
C4H5FN2O2
SMILES
C1=C([C@@H](NC(=O)N1)O)F
InChI
InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1
InChIKey
PRVUBDAKZJCBTI-VKHMYHEASA-N
Compound name
(4S)-5-fluoro-4-hydroxy-3,4-dihydro-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.03351 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04079 123.8
[M+Na]+ 155.02273 132.2
[M-H]- 131.02623 119.5
[M+NH4]+ 150.06733 141.1
[M+K]+ 170.99667 128.9
[M+H-H2O]+ 115.03077 117.2
[M+HCOO]- 177.03171 139.4
[M+CH3COO]- 191.04736 162.8
[M+Na-2H]- 153.00818 129.0
[M]+ 132.03296 116.2
[M]- 132.03406 116.2
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.