CID 135538720

125962-37-0

Structural Information

Molecular Formula
C10H13N5O2
SMILES
C1C(CC1N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C10H13N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-1-5(2-6)3-16/h4-6,16H,1-3H2,(H3,11,13,14,17)
InChIKey
UMHYNECKSWGZMS-UHFFFAOYSA-N
Compound name
2-amino-9-[3-(hydroxymethyl)cyclobutyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

235.10692 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11420 153.2
[M+Na]+ 258.09614 162.3
[M-H]- 234.09964 153.5
[M+NH4]+ 253.14074 160.6
[M+K]+ 274.07008 160.4
[M+H-H2O]+ 218.10418 139.2
[M+HCOO]- 280.10512 170.1
[M+CH3COO]- 294.12077 191.8
[M+Na-2H]- 256.08159 156.8
[M]+ 235.10637 160.4
[M]- 235.10747 160.4
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.