CID 490310

5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonitrile

Structural Information

Molecular Formula
C10H10N6O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C#N)O)O)N
InChI
InChI=1S/C10H10N6O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKey
KVVXGGBOVOUTBB-KQYNXXCUSA-N
Compound name
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.08145 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08873 152.8
[M+Na]+ 285.07067 164.3
[M-H]- 261.07417 152.3
[M+NH4]+ 280.11527 163.7
[M+K]+ 301.04461 160.4
[M+H-H2O]+ 245.07871 137.3
[M+HCOO]- 307.07965 166.3
[M+CH3COO]- 321.09530 162.2
[M+Na-2H]- 283.05612 154.5
[M]+ 262.08090 147.3
[M]- 262.08200 147.3
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.