CID 11150086

Efdda

Structural Information

Molecular Formula
C12H12FN5O2
SMILES
C#C[C@]1(CC[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)CO
InChI
InChI=1S/C12H12FN5O2/c1-2-12(5-19)4-3-7(20-12)18-6-15-8-9(14)16-11(13)17-10(8)18/h1,6-7,19H,3-5H2,(H2,14,16,17)/t7-,12+/m1/s1
InChIKey
KLXASYNEJRYFMO-KRTXAFLBSA-N
Compound name
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

277.0975 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10478 153.7
[M+Na]+ 300.08672 166.2
[M-H]- 276.09022 151.8
[M+NH4]+ 295.13132 166.2
[M+K]+ 316.06066 160.1
[M+H-H2O]+ 260.09476 137.7
[M+HCOO]- 322.09570 165.0
[M+CH3COO]- 336.11135 162.9
[M+Na-2H]- 298.07217 155.3
[M]+ 277.09695 147.4
[M]- 277.09805 147.4
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