CID 92289

1,7-dimethylhypoxanthine

Structural Information

Molecular Formula
C7H8N4O
SMILES
CN1C=NC2=C1C(=O)N(C=N2)C
InChI
InChI=1S/C7H8N4O/c1-10-3-8-6-5(10)7(12)11(2)4-9-6/h3-4H,1-2H3
InChIKey
ZIVNUESELYYTHV-UHFFFAOYSA-N
Compound name
1,7-dimethylpurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

164.06981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 131.2
[M+Na]+ 187.059028 145.2
[M-H]- 163.062534 132.0
[M+NH4]+ 182.103633 150.2
[M+K]+ 203.032968 142.1
[M+H-H2O]+ 147.067070 123.5
[M+HCOO]- 209.068011 153.6
[M+CH3COO]- 223.083661 145.9
[M+Na-2H]- 185.044476 139.5
[M]+ 164.06926142 135.4
[M]- 164.07035858 135.4
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