CID 135480678

91897-98-2

Structural Information

Molecular Formula
C8H10ClN5O3
SMILES
C(COCN1C2=C(C(=O)NC(=N2)N)N=C1Cl)O
InChI
InChI=1S/C8H10ClN5O3/c9-7-11-4-5(12-8(10)13-6(4)16)14(7)3-17-2-1-15/h15H,1-3H2,(H3,10,12,13,16)
InChIKey
MYTTVFRFXXXOKZ-UHFFFAOYSA-N
Compound name
2-amino-8-chloro-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.0472 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05448 151.7
[M+Na]+ 282.03642 164.4
[M-H]- 258.03992 149.4
[M+NH4]+ 277.08102 165.7
[M+K]+ 298.01036 158.7
[M+H-H2O]+ 242.04446 144.3
[M+HCOO]- 304.04540 166.8
[M+CH3COO]- 318.06105 190.3
[M+Na-2H]- 280.02187 157.1
[M]+ 259.04665 155.7
[M]- 259.04775 155.7
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.