CID 135524763

2-amino-9-[[2-(hydroxymethyl)-1-methyl-cyclopropyl]methyl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H15N5O2
SMILES
CC1(CC1CO)CN2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H15N5O2/c1-11(2-6(11)3-17)4-16-5-13-7-8(16)14-10(12)15-9(7)18/h5-6,17H,2-4H2,1H3,(H3,12,14,15,18)
InChIKey
FLCBRULYZZKPDJ-UHFFFAOYSA-N
Compound name
2-amino-9-[[2-(hydroxymethyl)-1-methylcyclopropyl]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 164.6
[M+Na]+ 272.11179 178.3
[M-H]- 248.11529 166.1
[M+NH4]+ 267.15639 175.4
[M+K]+ 288.08573 170.8
[M+H-H2O]+ 232.11983 157.5
[M+HCOO]- 294.12077 183.2
[M+CH3COO]- 308.13642 175.4
[M+Na-2H]- 270.09724 169.2
[M]+ 249.12202 168.0
[M]- 249.12312 168.0
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

No patent data available for this compound.