CID 824910

5-allyl-6-methyluracil

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]+ 167.08151 132.5
[M+Na]+ 189.06345 143.2
[M-H]- 165.06695 131.6
[M+NH4]+ 184.10805 149.7
[M+K]+ 205.03739 138.6
[M+H-H2O]+ 149.07149 126.4
[M+HCOO]- 211.07243 152.7
[M+CH3COO]- 225.08808 173.6
[M+Na-2H]- 187.04890 138.1
[M]+ 166.07368 131.3
[M]- 166.07478 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.