CID 481107

[4-(6-amino-purin-9-yl)-3-fluoro-oxetan-2-yl]-methanol

Structural Information

Molecular Formula
C9H10FN5O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H](O3)CO)F)N
InChI
InChI=1S/C9H10FN5O2/c10-5-4(1-16)17-9(5)15-3-14-6-7(11)12-2-13-8(6)15/h2-5,9,16H,1H2,(H2,11,12,13)/t4-,5-,9-/m1/s1
InChIKey
MBLKQZMAFKAYNO-UDJQAZALSA-N
Compound name
[(2R,3R,4R)-4-(6-aminopurin-9-yl)-3-fluorooxetan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.08185 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08913 149.8
[M+Na]+ 262.07107 159.7
[M-H]- 238.07457 150.8
[M+NH4]+ 257.11567 156.5
[M+K]+ 278.04501 159.7
[M+H-H2O]+ 222.07911 134.9
[M+HCOO]- 284.08005 166.4
[M+CH3COO]- 298.09570 160.8
[M+Na-2H]- 260.05652 154.3
[M]+ 239.08130 158.7
[M]- 239.08240 158.7
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.