CID 212854

Uracil, 1-allyl-3-methyl-5-propyl-

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCCC1=CN(C(=O)N(C1=O)C)CC=C
InChI
InChI=1S/C11H16N2O2/c1-4-6-9-8-13(7-5-2)11(15)12(3)10(9)14/h5,8H,2,4,6-7H2,1,3H3
InChIKey
WKAXKWZDVWEIOQ-UHFFFAOYSA-N
Compound name
3-methyl-1-prop-2-enyl-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 143.2
[M+Na]+ 231.11041 154.5
[M-H]- 207.11391 145.0
[M+NH4]+ 226.15501 160.6
[M+K]+ 247.08435 151.0
[M+H-H2O]+ 191.11845 136.3
[M+HCOO]- 253.11939 165.5
[M+CH3COO]- 267.13504 189.0
[M+Na-2H]- 229.09586 147.7
[M]+ 208.12064 147.3
[M]- 208.12174 147.3
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.