CID 5272913

4-amino-1-[1-(fluoromethyl)-4-hydroxy-butyl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H14FN3O2
SMILES
C1=CN(C(=O)N=C1N)C(CCCO)CF
InChI
InChI=1S/C9H14FN3O2/c10-6-7(2-1-5-14)13-4-3-8(11)12-9(13)15/h3-4,7,14H,1-2,5-6H2,(H2,11,12,15)
InChIKey
LCLHHILVPGQXMV-UHFFFAOYSA-N
Compound name
4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10701 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11429 146.0
[M+Na]+ 238.09623 153.9
[M-H]- 214.09973 144.0
[M+NH4]+ 233.14083 160.9
[M+K]+ 254.07017 150.8
[M+H-H2O]+ 198.10427 137.5
[M+HCOO]- 260.10521 165.4
[M+CH3COO]- 274.12086 187.6
[M+Na-2H]- 236.08168 149.7
[M]+ 215.10646 144.4
[M]- 215.10756 144.4
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.