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]+ 191.10398 140.8
[M+Na]+ 213.08592 149.9
[M-H]- 189.08942 140.6
[M+NH4]+ 208.13052 149.1
[M+K]+ 229.05986 148.4
[M+H-H2O]+ 173.09396 126.0
[M+HCOO]- 235.09490 158.1
[M+CH3COO]- 249.11055 151.7
[M+Na-2H]- 211.07137 147.4
[M]+ 190.09615 146.9
[M]- 190.09725 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.