CID 54148149

Ethyl 2-(9h-purin-8-yl)acetate

Structural Information

Molecular Formula
C9H10N4O2
SMILES
CCOC(=O)CC1=NC2=NC=NC=C2N1
InChI
InChI=1S/C9H10N4O2/c1-2-15-8(14)3-7-12-6-4-10-5-11-9(6)13-7/h4-5H,2-3H2,1H3,(H,10,11,12,13)
InChIKey
OFVDYXHKZVQEIU-UHFFFAOYSA-N
Compound name
ethyl 2-(7H-purin-8-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08765 143.3
[M+Na]+ 229.06959 153.6
[M-H]- 205.07309 141.8
[M+NH4]+ 224.11419 159.1
[M+K]+ 245.04353 150.3
[M+H-H2O]+ 189.07763 134.8
[M+HCOO]- 251.07857 162.7
[M+CH3COO]- 265.09422 181.7
[M+Na-2H]- 227.05504 150.5
[M]+ 206.07982 146.2
[M]- 206.08092 146.2
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.