CID 824910

94815-68-6

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C(C(=O)NC(=O)N1)CC=C
InChI
InChI=1S/C8H10N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3H,1,4H2,2H3,(H2,9,10,11,12)
InChIKey
KWHYPGGBFHXFLD-UHFFFAOYSA-N
Compound name
6-methyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

166.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 132.5
[M+Na]+ 189.063448 143.2
[M-H]- 165.066954 131.6
[M+NH4]+ 184.108053 149.7
[M+K]+ 205.037388 138.6
[M+H-H2O]+ 149.071490 126.4
[M+HCOO]- 211.072431 152.7
[M+CH3COO]- 225.088081 173.6
[M+Na-2H]- 187.048896 138.1
[M]+ 166.07368142 131.3
[M]- 166.07477858 131.3
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.