CID 512655

81777-47-1

Structural Information

Molecular Formula
C10H11ClN4O3
SMILES
CC(=O)OCCOCN1C=NC2=C1N=CN=C2Cl
InChI
InChI=1S/C10H11ClN4O3/c1-7(16)18-3-2-17-6-15-5-14-8-9(11)12-4-13-10(8)15/h4-5H,2-3,6H2,1H3
InChIKey
WZVLTCCUFBQPSE-UHFFFAOYSA-N
Compound name
2-[(6-chloropurin-9-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

270.05197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05925 154.7
[M+Na]+ 293.04119 166.2
[M-H]- 269.04469 154.4
[M+NH4]+ 288.08579 169.5
[M+K]+ 309.01513 162.6
[M+H-H2O]+ 253.04923 145.9
[M+HCOO]- 315.05017 170.6
[M+CH3COO]- 329.06582 194.1
[M+Na-2H]- 291.02664 160.7
[M]+ 270.05142 163.2
[M]- 270.05252 163.2
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.