CID 135434128

9-(2-hydroxypropyl)hypoxanthine

Structural Information

Molecular Formula
C8H10N4O2
SMILES
C[C@H](CN1C=NC2=C1N=CNC2=O)O
InChI
InChI=1S/C8H10N4O2/c1-5(13)2-12-4-11-6-7(12)9-3-10-8(6)14/h3-5,13H,2H2,1H3,(H,9,10,14)/t5-/m1/s1
InChIKey
SDGOBZFXYQNSIM-RXMQYKEDSA-N
Compound name
9-[(2R)-2-hydroxypropyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08765 140.0
[M+Na]+ 217.06959 151.2
[M-H]- 193.07309 137.7
[M+NH4]+ 212.11419 155.9
[M+K]+ 233.04353 147.2
[M+H-H2O]+ 177.07763 132.3
[M+HCOO]- 239.07857 158.3
[M+CH3COO]- 253.09422 178.2
[M+Na-2H]- 215.05504 146.5
[M]+ 194.07982 141.2
[M]- 194.08092 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.