CID 135433814

9-[(1r,3s)-3-(hydroxymethyl)-1,2,2-trimethyl-cyclopentyl]purin-6-ol

Structural Information

Molecular Formula
C14H20N4O2
SMILES
C[C@]1(CC[C@@H](C1(C)C)CO)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C14H20N4O2/c1-13(2)9(6-19)4-5-14(13,3)18-8-17-10-11(18)15-7-16-12(10)20/h7-9,19H,4-6H2,1-3H3,(H,15,16,20)/t9-,14-/m1/s1
InChIKey
DGXCXSVXGJRNQG-YMTOWFKASA-N
Compound name
9-[(1R,3S)-3-(hydroxymethyl)-1,2,2-trimethylcyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.15863 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 161.7
[M+Na]+ 299.14785 173.4
[M-H]- 275.15135 163.3
[M+NH4]+ 294.19245 180.3
[M+K]+ 315.12179 168.3
[M+H-H2O]+ 259.15589 154.2
[M+HCOO]- 321.15683 178.5
[M+CH3COO]- 335.17248 173.3
[M+Na-2H]- 297.13330 164.7
[M]+ 276.15808 162.8
[M]- 276.15918 162.8
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.