CID 376606

Nsc657617

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C#CCOCN1C=CC(=O)NC1=O
InChI
InChI=1S/C8H8N2O3/c1-2-5-13-6-10-4-3-7(11)9-8(10)12/h1,3-4H,5-6H2,(H,9,11,12)
InChIKey
FELZLZWQZVDDGL-UHFFFAOYSA-N
Compound name
1-(prop-2-ynoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 132.9
[M+Na]+ 203.04272 144.1
[M-H]- 179.04622 131.2
[M+NH4]+ 198.08732 147.5
[M+K]+ 219.01666 140.7
[M+H-H2O]+ 163.05076 119.6
[M+HCOO]- 225.05170 148.7
[M+CH3COO]- 239.06735 184.9
[M+Na-2H]- 201.02817 138.5
[M]+ 180.05295 128.7
[M]- 180.05405 128.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.