CID 484771

4-amino-1-[(1s,3s)-3-fluoro-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H14FN3O2
SMILES
C1C[C@](C[C@H]1N2C=CC(=NC2=O)N)(CO)F
InChI
InChI=1S/C10H14FN3O2/c11-10(6-15)3-1-7(5-10)14-4-2-8(12)13-9(14)16/h2,4,7,15H,1,3,5-6H2,(H2,12,13,16)/t7-,10-/m0/s1
InChIKey
WOHGMEAGTHCVMA-XVKPBYJWSA-N
Compound name
4-amino-1-[(1S,3S)-3-fluoro-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10701 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11429 146.5
[M+Na]+ 250.09623 155.4
[M-H]- 226.09973 148.1
[M+NH4]+ 245.14083 164.7
[M+K]+ 266.07017 151.7
[M+H-H2O]+ 210.10427 138.6
[M+HCOO]- 272.10521 166.0
[M+CH3COO]- 286.12086 186.8
[M+Na-2H]- 248.08168 149.7
[M]+ 227.10646 142.2
[M]- 227.10756 142.2
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.