CID 181931

88492-35-7

Structural Information

Molecular Formula
C8H9N11
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(CN=[N+]=[N-])N=[N+]=[N-])N
InChI
InChI=1S/C8H9N11/c9-7-6-8(13-3-12-7)19(4-14-6)2-5(16-18-11)1-15-17-10/h3-5H,1-2H2,(H2,9,12,13)
InChIKey
KTYUOAXNTIDVKC-UHFFFAOYSA-N
Compound name
9-(2,3-diazidopropyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.10425 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11153 145.3
[M+Na]+ 282.09347 151.9
[M-H]- 258.09697 150.5
[M+NH4]+ 277.13807 158.4
[M+K]+ 298.06741 140.8
[M+H-H2O]+ 242.10151 142.6
[M+HCOO]- 304.10245 178.2
[M+CH3COO]- 318.11810 204.4
[M+Na-2H]- 280.07892 163.1
[M]+ 259.10370 141.2
[M]- 259.10480 141.2
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.