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

8
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

literature stripe

Patent stripe

patents stripe