CID 481108

Chembl5415261

Structural Information

Molecular Formula
C9H10N8O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C9H10N8O2/c10-7-6-8(13-2-12-7)17(3-14-6)9-5(15-16-11)4(1-18)19-9/h2-5,9,18H,1H2,(H2,10,12,13)/t4-,5-,9-/m1/s1
InChIKey
NXTMDIWLVQSUHF-UDJQAZALSA-N
Compound name
[(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-azidooxetan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.09268 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09996 152.4
[M+Na]+ 285.08190 159.3
[M-H]- 261.08540 157.1
[M+NH4]+ 280.12650 157.7
[M+K]+ 301.05584 155.9
[M+H-H2O]+ 245.08994 140.0
[M+HCOO]- 307.09088 176.1
[M+CH3COO]- 321.10653 201.3
[M+Na-2H]- 283.06735 163.0
[M]+ 262.09213 159.2
[M]- 262.09323 159.2
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.