CID 70632

6-methoxypurine

Structural Information

Molecular Formula
C6H6N4O
SMILES
COC1=NC=NC2=C1NC=N2
InChI
InChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey
GOILPRCCOREWQE-UHFFFAOYSA-N
Compound name
6-methoxy-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

1273
Patents

150.05415 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.061426 127.1
[M+Na]+ 173.043368 138.9
[M-H]- 149.046874 125.9
[M+NH4]+ 168.087973 145.4
[M+K]+ 189.017308 135.9
[M+H-H2O]+ 133.051410 119.2
[M+HCOO]- 195.052351 148.2
[M+CH3COO]- 209.068001 140.8
[M+Na-2H]- 171.028816 137.1
[M]+ 150.05360142 129.0
[M]- 150.05469858 129.0
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