CID 53481384

5,7-dihydro-4h-purin-8-ol

Structural Information

Molecular Formula
C5H6N4O
SMILES
C1=NC=NC2C1NC(=O)N2
InChI
InChI=1S/C5H6N4O/c10-5-8-3-1-6-2-7-4(3)9-5/h1-4H,(H2,8,9,10)
InChIKey
GIKQOZJNGHZXSN-UHFFFAOYSA-N
Compound name
4,5,7,9-tetrahydropurin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.05415 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.06143 127.5
[M+Na]+ 161.04337 138.2
[M+NH4]+ 156.08797 134.2
[M+K]+ 177.01731 135.5
[M-H]- 137.04687 125.6
[M+Na-2H]- 159.02882 131.1
[M]+ 138.05360 128.0
[M]- 138.05470 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.