CID 454988

(-).b.dioxol-2fa

Structural Information

Molecular Formula
C9H10FN5O3
SMILES
C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C(N=C(N=C32)F)N
InChI
InChI=1S/C9H10FN5O3/c10-9-13-7(11)6-8(14-9)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H2,11,13,14)/t4-,5-/m1/s1
InChIKey
CDNIAFXFMZPGPJ-RFZPGFLSSA-N
Compound name
[(2R,4R)-4-(6-amino-2-fluoropurin-9-yl)-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

255.07677 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08405 152.1
[M+Na]+ 278.06599 163.4
[M-H]- 254.06949 154.3
[M+NH4]+ 273.11059 164.8
[M+K]+ 294.03993 161.6
[M+H-H2O]+ 238.07403 143.3
[M+HCOO]- 300.07497 169.3
[M+CH3COO]- 314.09062 164.0
[M+Na-2H]- 276.05144 155.3
[M]+ 255.07622 153.2
[M]- 255.07732 153.2
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.