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 127.7
[M+Na]+ 161.04337 136.7
[M-H]- 137.04687 124.2
[M+NH4]+ 156.08797 145.3
[M+K]+ 177.01731 133.2
[M+H-H2O]+ 121.05141 120.0
[M+HCOO]- 183.05235 143.5
[M+CH3COO]- 197.06800 139.4
[M+Na-2H]- 159.02882 134.5
[M]+ 138.05360 122.4
[M]- 138.05470 122.4
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

No patent data available for this compound.