CID 3134

6-dimethylaminopurine

Structural Information

Molecular Formula
C7H9N5
SMILES
CN(C)C1=NC=NC2=C1NC=N2
InChI
InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)
InChIKey
BVIAOQMSVZHOJM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

340
References

8186
Patents

163.0858 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe