CID 67955

443-72-1

Structural Information

Molecular Formula
C6H7N5
SMILES
CNC1=NC=NC2=C1NC=N2
InChI
InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
InChIKey
CKOMXBHMKXXTNW-UHFFFAOYSA-N
Compound name
N-methyl-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

471
References

30472
Patents

149.07014 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07742 127.4
[M+Na]+ 172.05936 138.4
[M-H]- 148.06286 126.2
[M+NH4]+ 167.10396 145.4
[M+K]+ 188.03330 134.8
[M+H-H2O]+ 132.06740 119.2
[M+HCOO]- 194.06834 149.3
[M+CH3COO]- 208.08399 140.7
[M+Na-2H]- 170.04481 138.0
[M]+ 149.06959 127.2
[M]- 149.07069 127.2
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