CID 23273663

6-(azetidin-1-yl)-9h-purine

Structural Information

Molecular Formula
C8H9N5
SMILES
C1CN(C1)C2=NC=NC3=C2NC=N3
InChI
InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12)
InChIKey
ACPXQMYLXLKGKU-UHFFFAOYSA-N
Compound name
6-(azetidin-1-yl)-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.0858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.093076 133.8
[M+Na]+ 198.075018 143.2
[M-H]- 174.078524 133.7
[M+NH4]+ 193.119623 143.1
[M+K]+ 214.048958 142.0
[M+H-H2O]+ 158.083060 119.5
[M+HCOO]- 220.084001 150.9
[M+CH3COO]- 234.099651 145.4
[M+Na-2H]- 196.060466 141.9
[M]+ 175.08525142 141.1
[M]- 175.08634858 141.1
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

patents stripe