CID 376608

Nsc657619

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C=CCOC(=O)CN1C=CC(=O)NC1=O
InChI
InChI=1S/C9H10N2O4/c1-2-5-15-8(13)6-11-4-3-7(12)10-9(11)14/h2-4H,1,5-6H2,(H,10,12,14)
InChIKey
FMLKEULTDWQKGO-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-(2,4-dioxopyrimidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 140.7
[M+Na]+ 233.05328 150.3
[M-H]- 209.05678 140.8
[M+NH4]+ 228.09788 156.3
[M+K]+ 249.02722 147.3
[M+H-H2O]+ 193.06132 133.6
[M+HCOO]- 255.06226 161.8
[M+CH3COO]- 269.07791 181.6
[M+Na-2H]- 231.03873 145.9
[M]+ 210.06351 142.8
[M]- 210.06461 142.8
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.