CID 135415584

9-ethylguanine

Structural Information

Molecular Formula
C7H9N5O
SMILES
CCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C7H9N5O/c1-2-12-3-9-4-5(12)10-7(8)11-6(4)13/h3H,2H2,1H3,(H3,8,10,11,13)
InChIKey
WDOYBEPLTCFIRQ-UHFFFAOYSA-N
Compound name
2-amino-9-ethyl-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

79
References

265
Patents

179.0807 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 136.4
[M+Na]+ 202.06992 149.0
[M-H]- 178.07342 135.4
[M+NH4]+ 197.11452 153.5
[M+K]+ 218.04386 144.6
[M+H-H2O]+ 162.07796 128.6
[M+HCOO]- 224.07890 157.7
[M+CH3COO]- 238.09455 149.5
[M+Na-2H]- 200.05537 143.8
[M]+ 179.08015 137.1
[M]- 179.08125 137.1
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