CID 87338

6-ethoxypurine

Structural Information

Molecular Formula
C7H8N4O
SMILES
CCOC1=NC=NC2=C1NC=N2
InChI
InChI=1S/C7H8N4O/c1-2-12-7-5-6(9-3-8-5)10-4-11-7/h3-4H,2H2,1H3,(H,8,9,10,11)
InChIKey
BMLKPGJBYUTIHT-UHFFFAOYSA-N
Compound name
6-ethoxy-7H-purine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

151
Patents

164.06981 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 131.7
[M+Na]+ 187.059028 143.0
[M-H]- 163.062534 130.3
[M+NH4]+ 182.103633 149.4
[M+K]+ 203.032968 139.7
[M+H-H2O]+ 147.067070 123.5
[M+HCOO]- 209.068011 152.4
[M+CH3COO]- 223.083661 144.9
[M+Na-2H]- 185.044476 141.1
[M]+ 164.06926142 133.9
[M]- 164.07035858 133.9
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