CID 3011688

Chembl157159

Structural Information

Molecular Formula
C8H10FN5O
SMILES
CC(CN1C=NC2=C1N=C(N=C2F)N)O
InChI
InChI=1S/C8H10FN5O/c1-4(15)2-14-3-11-5-6(9)12-8(10)13-7(5)14/h3-4,15H,2H2,1H3,(H2,10,12,13)
InChIKey
LELUQQBZCUWFND-UHFFFAOYSA-N
Compound name
1-(2-amino-6-fluoropurin-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

211.08694 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09422 143.6
[M+Na]+ 234.07616 155.2
[M-H]- 210.07966 141.2
[M+NH4]+ 229.12076 159.3
[M+K]+ 250.05010 151.2
[M+H-H2O]+ 194.08420 134.7
[M+HCOO]- 256.08514 162.4
[M+CH3COO]- 270.10079 187.5
[M+Na-2H]- 232.06161 148.9
[M]+ 211.08639 143.7
[M]- 211.08749 143.7
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.