CID 94845

9h-purin-6-amine, n,9-dimethyl-

Structural Information

Molecular Formula
C7H9N5
SMILES
CNC1=C2C(=NC=N1)N(C=N2)C
InChI
InChI=1S/C7H9N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h3-4H,1-2H3,(H,8,9,10)
InChIKey
GRDLXXJSRHDATN-UHFFFAOYSA-N
Compound name
N,9-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

62
Patents

163.0858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09308 132.3
[M+Na]+ 186.07502 144.2
[M-H]- 162.07852 132.6
[M+NH4]+ 181.11962 150.8
[M+K]+ 202.04896 141.1
[M+H-H2O]+ 146.08306 123.9
[M+HCOO]- 208.08400 155.3
[M+CH3COO]- 222.09965 146.1
[M+Na-2H]- 184.06047 142.0
[M]+ 163.08525 134.7
[M]- 163.08635 134.7
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