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

literature stripe

Patent stripe

patents stripe