CID 506821

[3-(6-aminopurin-9-yl)phenyl]methanol

Structural Information

Molecular Formula
C12H11N5O
SMILES
C1=CC(=CC(=C1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C12H11N5O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(4-9)5-18/h1-4,6-7,18H,5H2,(H2,13,14,15)
InChIKey
YLLAKSAQDGIJRM-UHFFFAOYSA-N
Compound name
[3-(6-aminopurin-9-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.09636 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.10364 152.6
[M+Na]+ 264.08558 164.0
[M-H]- 240.08908 154.6
[M+NH4]+ 259.13018 166.6
[M+K]+ 280.05952 158.1
[M+H-H2O]+ 224.09362 143.2
[M+HCOO]- 286.09456 173.4
[M+CH3COO]- 300.11021 164.5
[M+Na-2H]- 262.07103 160.0
[M]+ 241.09581 153.2
[M]- 241.09691 153.2
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.