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]+ 198.08733 140.9
[M+Na]+ 220.06927 149.5
[M-H]- 196.07277 140.5
[M+NH4]+ 215.11387 156.5
[M+K]+ 236.04321 147.1
[M+H-H2O]+ 180.07731 133.6
[M+HCOO]- 242.07825 162.1
[M+CH3COO]- 256.09390 182.5
[M+Na-2H]- 218.05472 145.8
[M]+ 197.07950 140.7
[M]- 197.08060 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.