CID 5355054

8-hydroxyadenine

Structural Information

Molecular Formula
C5H5N5O
SMILES
C1=NC(=C2C(=N1)NC(=O)N2)N
InChI
InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKey
RGKBRPAAQSHTED-UHFFFAOYSA-N
Compound name
6-amino-7,9-dihydropurin-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

108
References

8252
Patents

151.04941 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05669 127.2
[M+Na]+ 174.03863 139.3
[M-H]- 150.04213 124.8
[M+NH4]+ 169.08323 144.4
[M+K]+ 190.01257 134.5
[M+H-H2O]+ 134.04667 119.8
[M+HCOO]- 196.04761 147.7
[M+CH3COO]- 210.06326 140.2
[M+Na-2H]- 172.02408 135.9
[M]+ 151.04886 124.9
[M]- 151.04996 124.9
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