CID 135480722

2-amino-9-[[1-(azidomethyl)-2-hydroxy-ethoxy]methyl]-1h-purin-6-one

Structural Information

Molecular Formula
C9H12N8O3
SMILES
C1=NC2=C(N1COC(CN=[N+]=[N-])CO)N=C(NC2=O)N
InChI
InChI=1S/C9H12N8O3/c10-9-14-7-6(8(19)15-9)12-3-17(7)4-20-5(2-18)1-13-16-11/h3,5,18H,1-2,4H2,(H3,10,14,15,19)
InChIKey
OFNCEPWHGGSDCS-UHFFFAOYSA-N
Compound name
2-amino-9-[(1-azido-3-hydroxypropan-2-yl)oxymethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.10324 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11052 153.0
[M+Na]+ 303.09246 161.2
[M-H]- 279.09596 153.5
[M+NH4]+ 298.13706 164.7
[M+K]+ 319.06640 153.1
[M+H-H2O]+ 263.10050 148.0
[M+HCOO]- 325.10144 178.3
[M+CH3COO]- 339.11709 198.4
[M+Na-2H]- 301.07791 164.4
[M]+ 280.10269 151.9
[M]- 280.10379 151.9
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

No patent data available for this compound.