CID 135471846

42822-68-4

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CCOC(=O)CC1=CC(=O)NC(=N1)N
InChI
InChI=1S/C8H11N3O3/c1-2-14-7(13)4-5-3-6(12)11-8(9)10-5/h3H,2,4H2,1H3,(H3,9,10,11,12)
InChIKey
INZMWPQMHAXKQR-UHFFFAOYSA-N
Compound name
ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08005 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.087326 140.9
[M+Na]+ 220.069268 149.5
[M-H]- 196.072774 140.5
[M+NH4]+ 215.113873 156.5
[M+K]+ 236.043208 147.1
[M+H-H2O]+ 180.077310 133.6
[M+HCOO]- 242.078251 162.1
[M+CH3COO]- 256.093901 182.5
[M+Na-2H]- 218.054716 145.8
[M]+ 197.07950142 140.7
[M]- 197.08059858 140.7
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.