CID 135465369

9-[(1s,2r,3s,4s)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1N2C=NC3=C2N=CNC3=O)O)O)CO
InChI
InChI=1S/C11H14N4O4/c16-2-5-1-6(9(18)8(5)17)15-4-14-7-10(15)12-3-13-11(7)19/h3-6,8-9,16-18H,1-2H2,(H,12,13,19)/t5-,6-,8-,9+/m0/s1
InChIKey
WJJOLBUDGLOYDT-UXXCCHNYSA-N
Compound name
9-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.1015 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.108776 158.1
[M+Na]+ 289.090718 168.4
[M-H]- 265.094224 157.2
[M+NH4]+ 284.135323 171.6
[M+K]+ 305.064658 163.3
[M+H-H2O]+ 249.098760 150.8
[M+HCOO]- 311.099701 172.9
[M+CH3COO]- 325.115351 168.5
[M+Na-2H]- 287.076166 158.7
[M]+ 266.10095142 157.0
[M]- 266.10204858 157.0
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.