CID 452614

131853-47-9

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C1C(CC1(CO)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O2/c12-9-8-10(14-5-13-9)16(6-15-8)7-1-11(2-7,3-17)4-18/h5-7,17-18H,1-4H2,(H2,12,13,14)
InChIKey
PQABLYQJFFLKFY-UHFFFAOYSA-N
Compound name
[3-(6-aminopurin-9-yl)-1-(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

249.12257 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 157.7
[M+Na]+ 272.11179 166.2
[M-H]- 248.11529 157.9
[M+NH4]+ 267.15639 166.3
[M+K]+ 288.08573 164.8
[M+H-H2O]+ 232.11983 144.1
[M+HCOO]- 294.12077 174.2
[M+CH3COO]- 308.13642 193.6
[M+Na-2H]- 270.09724 162.7
[M]+ 249.12202 165.9
[M]- 249.12312 165.9
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