CID 135538721

130368-81-9

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1C(CC1(CO)CO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H15N5O3/c12-10-14-8-7(9(19)15-10)13-5-16(8)6-1-11(2-6,3-17)4-18/h5-6,17-18H,1-4H2,(H3,12,14,15,19)
InChIKey
MQUOKLYYCVUIOB-UHFFFAOYSA-N
Compound name
2-amino-9-[3,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

265.1175 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 162.5
[M+Na]+ 288.10672 171.2
[M-H]- 264.11022 161.7
[M+NH4]+ 283.15132 169.8
[M+K]+ 304.08066 169.1
[M+H-H2O]+ 248.11476 149.3
[M+HCOO]- 310.11570 177.6
[M+CH3COO]- 324.13135 194.3
[M+Na-2H]- 286.09217 166.2
[M]+ 265.11695 170.0
[M]- 265.11805 170.0
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.