CID 477853

Schembl24695057

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C[C@]1(CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H15N5O2/c1-11(4-17)3-2-7(18-11)16-6-15-8-9(12)13-5-14-10(8)16/h5-7,17H,2-4H2,1H3,(H2,12,13,14)/t7-,11+/m1/s1
InChIKey
VJLGZYHHLYREIH-HQJQHLMTSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

249.12257 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 152.9
[M+Na]+ 272.11179 163.4
[M-H]- 248.11529 155.6
[M+NH4]+ 267.15639 169.1
[M+K]+ 288.08573 160.7
[M+H-H2O]+ 232.11983 144.7
[M+HCOO]- 294.12077 171.5
[M+CH3COO]- 308.13642 164.9
[M+Na-2H]- 270.09724 157.4
[M]+ 249.12202 153.7
[M]- 249.12312 153.7
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

patents stripe