CID 451656

(r)-cyclobutyl-a

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C1[C@@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)CO)CO
InChI
InChI=1S/C11H15N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)8-1-6(2-17)7(8)3-18/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8-/m1/s1
InChIKey
PYJIWOQTJHPDAK-BWZBUEFSSA-N
Compound name
[(1S,2R,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

37
Patents

249.12257 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 157.6
[M+Na]+ 272.11179 166.0
[M-H]- 248.11529 157.8
[M+NH4]+ 267.15639 164.5
[M+K]+ 288.08573 164.5
[M+H-H2O]+ 232.11983 143.4
[M+HCOO]- 294.12077 174.0
[M+CH3COO]- 308.13642 195.3
[M+Na-2H]- 270.09724 160.8
[M]+ 249.12202 165.8
[M]- 249.12312 165.8
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