CID 135483968

9-[(2r,4s)-4-(hydroxymethyl)-4-methyl-tetrahydrofuran-2-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C[C@]1(C[C@@H](OC1)N2C=NC3=C2N=CNC3=O)CO
InChI
InChI=1S/C11H14N4O3/c1-11(3-16)2-7(18-4-11)15-6-14-8-9(15)12-5-13-10(8)17/h5-7,16H,2-4H2,1H3,(H,12,13,17)/t7-,11+/m1/s1
InChIKey
JUFMFWASJAJEMF-HQJQHLMTSA-N
Compound name
9-[(2R,4S)-4-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.1066 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 152.5
[M+Na]+ 273.09582 163.6
[M-H]- 249.09932 154.3
[M+NH4]+ 268.14042 168.4
[M+K]+ 289.06976 160.4
[M+H-H2O]+ 233.10386 144.8
[M+HCOO]- 295.10480 169.4
[M+CH3COO]- 309.12045 164.5
[M+Na-2H]- 271.08127 156.8
[M]+ 250.10605 153.7
[M]- 250.10715 153.7
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.