CID 135442580

L-2'f-c-d4h

Structural Information

Molecular Formula
C11H11FN4O2
SMILES
C1[C@H](C=C([C@H]1N2C=NC3=C2N=CNC3=O)F)CO
InChI
InChI=1S/C11H11FN4O2/c12-7-1-6(3-17)2-8(7)16-5-15-9-10(16)13-4-14-11(9)18/h1,4-6,8,17H,2-3H2,(H,13,14,18)/t6-,8-/m0/s1
InChIKey
XSJAGXTUVRWENV-XPUUQOCRSA-N
Compound name
9-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.08661 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09389 152.0
[M+Na]+ 273.07583 164.0
[M-H]- 249.07933 152.3
[M+NH4]+ 268.12043 167.5
[M+K]+ 289.04977 158.4
[M+H-H2O]+ 233.08387 143.1
[M+HCOO]- 295.08481 170.0
[M+CH3COO]- 309.10046 163.8
[M+Na-2H]- 271.06128 154.4
[M]+ 250.08606 151.7
[M]- 250.08716 151.7
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

No patent data available for this compound.