CID 128890

9-(3-azido-2-hydroxypropyl)adenine

Structural Information

Molecular Formula
C8H10N8O
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(CN=[N+]=[N-])O)N
InChI
InChI=1S/C8H10N8O/c9-7-6-8(12-3-11-7)16(4-13-6)2-5(17)1-14-15-10/h3-5,17H,1-2H2,(H2,9,11,12)
InChIKey
IJZBHUWBMUCDEO-UHFFFAOYSA-N
Compound name
1-(6-aminopurin-9-yl)-3-azidopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

234.09776 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10504 143.3
[M+Na]+ 257.08698 151.8
[M-H]- 233.09048 144.8
[M+NH4]+ 252.13158 157.5
[M+K]+ 273.06092 144.2
[M+H-H2O]+ 217.09502 138.1
[M+HCOO]- 279.09596 170.0
[M+CH3COO]- 293.11161 193.2
[M+Na-2H]- 255.07243 155.9
[M]+ 234.09721 141.5
[M]- 234.09831 141.5
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