CID 4312426

Dimethylaminopurine

Structural Information

Molecular Formula
C7H9N5
SMILES
CN(C)C1=NC=C2C(=N1)N=CN2
InChI
InChI=1S/C7H9N5/c1-12(2)7-8-3-5-6(11-7)10-4-9-5/h3-4H,1-2H3,(H,8,9,10,11)
InChIKey
BXJVBCCMZKYRGE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

247
References

362
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 132.1
[M+Na]+ 186.07502 142.7
[M-H]- 162.07852 132.2
[M+NH4]+ 181.11962 150.2
[M+K]+ 202.04896 140.2
[M+H-H2O]+ 146.08306 123.5
[M+HCOO]- 208.08400 154.2
[M+CH3COO]- 222.09965 145.5
[M+Na-2H]- 184.06047 141.4
[M]+ 163.08525 133.5
[M]- 163.08635 133.5
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.