CID 455158

2-flurooxetanocin a

Structural Information

Molecular Formula
C9H10FN5O3
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@H](O3)CO)O)F)N
InChI
InChI=1S/C9H10FN5O3/c10-9-13-6(11)4-7(14-9)15(2-12-4)8-5(17)3(1-16)18-8/h2-3,5,8,16-17H,1H2,(H2,11,13,14)/t3-,5-,8-/m1/s1
InChIKey
MEVRMCZJJISVOX-TWOGKDBTSA-N
Compound name
(2R,3R,4R)-2-(6-amino-2-fluoropurin-9-yl)-4-(hydroxymethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.07677 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08405 154.9
[M+Na]+ 278.06599 164.8
[M-H]- 254.06949 155.0
[M+NH4]+ 273.11059 160.4
[M+K]+ 294.03993 164.7
[M+H-H2O]+ 238.07403 140.3
[M+HCOO]- 300.07497 170.1
[M+CH3COO]- 314.09062 195.7
[M+Na-2H]- 276.05144 158.1
[M]+ 255.07622 163.8
[M]- 255.07732 163.8
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.