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]+ 225.08699 144.7
[M+Na]+ 247.06893 154.8
[M-H]- 223.07243 145.0
[M+NH4]+ 242.11353 160.1
[M+K]+ 263.04287 151.7
[M+H-H2O]+ 207.07697 137.7
[M+HCOO]- 269.07791 165.5
[M+CH3COO]- 283.09356 185.9
[M+Na-2H]- 245.05438 148.7
[M]+ 224.07916 147.6
[M]- 224.08026 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.