CID 488933

Ethanol, 2-(6-amino-9h-purin-9-yl)methoxy-

Structural Information

Molecular Formula
C8H11N5O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)COCCO)N
InChI
InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,11)
InChIKey
PEIRNIBZTBBIHT-UHFFFAOYSA-N
Compound name
2-[(6-aminopurin-9-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

45
Patents

209.09128 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09856 142.6
[M+Na]+ 232.08050 153.3
[M-H]- 208.08400 141.0
[M+NH4]+ 227.12510 158.0
[M+K]+ 248.05444 149.9
[M+H-H2O]+ 192.08854 134.0
[M+HCOO]- 254.08948 163.6
[M+CH3COO]- 268.10513 184.9
[M+Na-2H]- 230.06595 150.4
[M]+ 209.09073 145.3
[M]- 209.09183 145.3
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.