CID 97184

16006-64-7

Structural Information

Molecular Formula
C11H14N4O3
SMILES
CC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9+/m0/s1
InChIKey
SJXRKKYXNZWKDB-DJLDLDEBSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

141
Patents

250.1066 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 154.6
[M+Na]+ 273.09582 165.2
[M-H]- 249.09932 156.4
[M+NH4]+ 268.14042 168.7
[M+K]+ 289.06976 162.3
[M+H-H2O]+ 233.10386 146.7
[M+HCOO]- 295.10480 171.2
[M+CH3COO]- 309.12045 166.3
[M+Na-2H]- 271.08127 156.9
[M]+ 250.10605 156.5
[M]- 250.10715 156.5
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

patents stripe