CID 475255

2-[3-(6-amino-purin-9-yl)-tetrahydro-furan-2-yl]-ethanol

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C1CO[C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)CCO
InChI
InChI=1S/C11H15N5O2/c12-10-9-11(14-5-13-10)16(6-15-9)7-2-4-18-8(7)1-3-17/h5-8,17H,1-4H2,(H2,12,13,14)/t7-,8-/m1/s1
InChIKey
WAYKFLZKUSHQNM-HTQZYQBOSA-N
Compound name
2-[(2R,3R)-3-(6-aminopurin-9-yl)oxolan-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.12257 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 153.9
[M+Na]+ 272.11179 163.4
[M-H]- 248.11529 156.2
[M+NH4]+ 267.15639 168.0
[M+K]+ 288.08573 160.4
[M+H-H2O]+ 232.11983 145.1
[M+HCOO]- 294.12077 172.3
[M+CH3COO]- 308.13642 165.4
[M+Na-2H]- 270.09724 157.2
[M]+ 249.12202 154.3
[M]- 249.12312 154.3
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.