CID 86262646

2375273-16-6

Structural Information

Molecular Formula
C8H10N6
SMILES
C1C(CN1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C8H10N6/c9-7-6-8(12-3-11-7)14(4-13-6)5-1-10-2-5/h3-5,10H,1-2H2,(H2,9,11,12)
InChIKey
HVYOZNPMBGGDCS-UHFFFAOYSA-N
Compound name
9-(azetidin-3-yl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0967 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.103976 140.8
[M+Na]+ 213.085918 149.9
[M-H]- 189.089424 140.6
[M+NH4]+ 208.130523 149.1
[M+K]+ 229.059858 148.4
[M+H-H2O]+ 173.093960 126.0
[M+HCOO]- 235.094901 158.1
[M+CH3COO]- 249.110551 151.7
[M+Na-2H]- 211.071366 147.4
[M]+ 190.09615142 146.9
[M]- 190.09724858 146.9
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

No patent data available for this compound.