CID 54122244

2,7-dimethyl-7h-purin-6-amine

Structural Information

Molecular Formula
C7H9N5
SMILES
CC1=NC(=C2C(=N1)N=CN2C)N
InChI
InChI=1S/C7H9N5/c1-4-10-6(8)5-7(11-4)9-3-12(5)2/h3H,1-2H3,(H2,8,10,11)
InChIKey
NONGDUHEIFTQNQ-UHFFFAOYSA-N
Compound name
2,7-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

163.0858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09308 131.8
[M+Na]+ 186.07502 145.7
[M+NH4]+ 181.11962 139.4
[M+K]+ 202.04896 141.9
[M-H]- 162.07852 132.5
[M+Na-2H]- 184.06047 138.2
[M]+ 163.08525 133.8
[M]- 163.08635 133.8
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