CID 3021699

5-allyl-3,6-dimethyluracil

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CC1=C(C(=O)N(C(=O)N1)C)CC=C
InChI
InChI=1S/C9H12N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4H,1,5H2,2-3H3,(H,10,13)
InChIKey
IPJAPJKGXQNESJ-UHFFFAOYSA-N
Compound name
3,6-dimethyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 135.3
[M+Na]+ 203.07909 147.0
[M-H]- 179.08259 136.1
[M+NH4]+ 198.12369 153.0
[M+K]+ 219.05303 143.0
[M+H-H2O]+ 163.08713 129.1
[M+HCOO]- 225.08807 156.7
[M+CH3COO]- 239.10372 180.4
[M+Na-2H]- 201.06454 140.2
[M]+ 180.08932 136.7
[M]- 180.09042 136.7
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.