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]+ 209.128466 143.2
[M+Na]+ 231.110408 154.5
[M-H]- 207.113914 145.0
[M+NH4]+ 226.155013 160.6
[M+K]+ 247.084348 151.0
[M+H-H2O]+ 191.118450 136.3
[M+HCOO]- 253.119391 165.5
[M+CH3COO]- 267.135041 189.0
[M+Na-2H]- 229.095856 147.7
[M]+ 208.12064142 147.3
[M]- 208.12173858 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.