CID 376609

Nsc657620

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC1=CN(C(=O)NC1=O)CC(=O)OCC=C
InChI
InChI=1S/C10H12N2O4/c1-3-4-16-8(13)6-12-5-7(2)9(14)11-10(12)15/h3,5H,1,4,6H2,2H3,(H,11,14,15)
InChIKey
OGDPODUWTCDHOX-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 144.7
[M+Na]+ 247.068928 154.8
[M-H]- 223.072434 145.0
[M+NH4]+ 242.113533 160.1
[M+K]+ 263.042868 151.7
[M+H-H2O]+ 207.076970 137.7
[M+HCOO]- 269.077911 165.5
[M+CH3COO]- 283.093561 185.9
[M+Na-2H]- 245.054376 148.7
[M]+ 224.07916142 147.6
[M]- 224.08025858 147.6
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.