CID 376601

Nsc657612

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC1=CN(C(=O)NC1=O)COCC=C
InChI
InChI=1S/C9H12N2O3/c1-3-4-14-6-11-5-7(2)8(12)10-9(11)13/h3,5H,1,4,6H2,2H3,(H,10,12,13)
InChIKey
TUVOGBMSIUAZMK-UHFFFAOYSA-N
Compound name
5-methyl-1-(prop-2-enoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

196.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 138.8
[M+Na]+ 219.07402 149.4
[M-H]- 195.07752 139.1
[M+NH4]+ 214.11862 155.4
[M+K]+ 235.04796 146.0
[M+H-H2O]+ 179.08206 132.0
[M+HCOO]- 241.08300 160.4
[M+CH3COO]- 255.09865 181.3
[M+Na-2H]- 217.05947 144.4
[M]+ 196.08425 141.3
[M]- 196.08535 141.3
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.