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

2
Patents

175.0858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 133.8
[M+Na]+ 198.07502 143.2
[M-H]- 174.07852 133.7
[M+NH4]+ 193.11962 143.1
[M+K]+ 214.04896 142.0
[M+H-H2O]+ 158.08306 119.5
[M+HCOO]- 220.08400 150.9
[M+CH3COO]- 234.09965 145.4
[M+Na-2H]- 196.06047 141.9
[M]+ 175.08525 141.1
[M]- 175.08635 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