CID 452612

132406-73-6

Structural Information

Molecular Formula
C9H11N5
SMILES
C1CC(C1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H11N5/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-6/h4-6H,1-3H2,(H2,10,11,12)
InChIKey
JGFAEEKLMAWINF-UHFFFAOYSA-N
Compound name
9-cyclobutylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

189.10144 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10872 138.4
[M+Na]+ 212.09066 147.6
[M-H]- 188.09416 140.8
[M+NH4]+ 207.13526 148.8
[M+K]+ 228.06460 146.9
[M+H-H2O]+ 172.09870 124.1
[M+HCOO]- 234.09964 158.3
[M+CH3COO]- 248.11529 150.5
[M+Na-2H]- 210.07611 145.3
[M]+ 189.10089 146.2
[M]- 189.10199 146.2
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

patents stripe