CID 451527

Nr-62110

Structural Information

Molecular Formula
C10H12N8O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H](O3)CO)CN=[N+]=[N-])N
InChI
InChI=1S/C10H12N8O2/c11-8-7-9(14-3-13-8)18(4-15-7)10-5(1-16-17-12)6(2-19)20-10/h3-6,10,19H,1-2H2,(H2,11,13,14)/t5-,6-,10-/m1/s1
InChIKey
RZESAPDGLJJGHF-OXOINMOOSA-N
Compound name
[(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-(azidomethyl)oxetan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1083 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11558 157.0
[M+Na]+ 299.09752 163.4
[M-H]- 275.10102 161.5
[M+NH4]+ 294.14212 161.7
[M+K]+ 315.07146 159.9
[M+H-H2O]+ 259.10556 144.4
[M+HCOO]- 321.10650 180.3
[M+CH3COO]- 335.12215 204.3
[M+Na-2H]- 297.08297 167.0
[M]+ 276.10775 164.1
[M]- 276.10885 164.1
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.