CID 10467332

[3-(6-amino-purin-9-yl)-1-fluoro-cyclopentyl]-methanol

Structural Information

Molecular Formula
C11H14FN5O
SMILES
C1C[C@](C[C@H]1N2C=NC3=C(N=CN=C32)N)(CO)F
InChI
InChI=1S/C11H14FN5O/c12-11(4-18)2-1-7(3-11)17-6-16-8-9(13)14-5-15-10(8)17/h5-7,18H,1-4H2,(H2,13,14,15)/t7-,11-/m0/s1
InChIKey
LRLOIMNCYKAUQU-CPCISQLKSA-N
Compound name
[(1S,3S)-3-(6-aminopurin-9-yl)-1-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 151.9
[M+Na]+ 274.10746 162.5
[M-H]- 250.11096 152.7
[M+NH4]+ 269.15206 169.3
[M+K]+ 290.08140 157.9
[M+H-H2O]+ 234.11550 142.5
[M+HCOO]- 296.11644 170.3
[M+CH3COO]- 310.13209 163.4
[M+Na-2H]- 272.09291 155.5
[M]+ 251.11769 149.7
[M]- 251.11879 149.7
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.