CID 494609

Nsc627796

Structural Information

Molecular Formula
C11H16N4O3
SMILES
CN1C=NC2=C(C1O)N=CN2[C@@H]3CC[C@@H](O3)CO
InChI
InChI=1S/C11H16N4O3/c1-14-5-13-10-9(11(14)17)12-6-15(10)8-3-2-7(4-16)18-8/h5-8,11,16-17H,2-4H2,1H3/t7-,8+,11?/m1/s1
InChIKey
YWTQNDFEJJIOOG-IXIJJPBFSA-N
Compound name
9-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6H-purin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12224 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 157.5
[M+Na]+ 275.11146 166.1
[M-H]- 251.11496 158.5
[M+NH4]+ 270.15606 171.3
[M+K]+ 291.08540 163.6
[M+H-H2O]+ 235.11950 149.5
[M+HCOO]- 297.12044 171.2
[M+CH3COO]- 311.13609 168.1
[M+Na-2H]- 273.09691 157.8
[M]+ 252.12169 156.6
[M]- 252.12279 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.