CID 135402001

Dioxolane guanosine

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1C(OC(O1)CO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C9H11N5O4/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-2-17-5(1-15)18-4/h3-5,15H,1-2H2,(H3,10,12,13,16)
InChIKey
DXNPMWVLIOKPNO-UHFFFAOYSA-N
Compound name
2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

98
Patents

253.0811 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 152.9
[M+Na]+ 276.07032 163.7
[M+NH4]+ 271.11492 157.5
[M+K]+ 292.04426 165.6
[M-H]- 252.07382 154.7
[M+Na-2H]- 274.05577 154.8
[M]+ 253.08055 154.5
[M]- 253.08165 154.5
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