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]+ 207.087646 143.3
[M+Na]+ 229.069588 153.6
[M-H]- 205.073094 141.8
[M+NH4]+ 224.114193 159.1
[M+K]+ 245.043528 150.3
[M+H-H2O]+ 189.077630 134.8
[M+HCOO]- 251.078571 162.7
[M+CH3COO]- 265.094221 181.7
[M+Na-2H]- 227.055036 150.5
[M]+ 206.07982142 146.2
[M]- 206.08091858 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.