CID 452148

6'-f-carbocyclicdda

Structural Information

Molecular Formula
C11H14FN5O
SMILES
C1C[C@@H]([C@@H]([C@@H]1CO)F)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14FN5O/c12-8-6(3-18)1-2-7(8)17-5-16-9-10(13)14-4-15-11(9)17/h4-8,18H,1-3H2,(H2,13,14,15)/t6-,7-,8+/m0/s1
InChIKey
XVEWVASUVJQSBT-BIIVOSGPSA-N
Compound name
[(1S,2R,3S)-3-(6-aminopurin-9-yl)-2-fluorocyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12552 153.7
[M+Na]+ 274.10746 164.2
[M-H]- 250.11096 154.5
[M+NH4]+ 269.15206 169.4
[M+K]+ 290.08140 159.3
[M+H-H2O]+ 234.11550 144.2
[M+HCOO]- 296.11644 171.9
[M+CH3COO]- 310.13209 165.1
[M+Na-2H]- 272.09291 155.4
[M]+ 251.11769 151.6
[M]- 251.11879 151.6
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.