CID 81504

1-allyl-6-amino-3-methyluracil

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CN1C(=O)C=C(N(C1=O)CC=C)N
InChI
InChI=1S/C8H11N3O2/c1-3-4-11-6(9)5-7(12)10(2)8(11)13/h3,5H,1,4,9H2,2H3
InChIKey
OCSRIEOBSUDSMV-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 135.8
[M+Na]+ 204.074348 147.4
[M-H]- 180.077854 137.5
[M+NH4]+ 199.118953 153.5
[M+K]+ 220.048288 144.1
[M+H-H2O]+ 164.082390 129.0
[M+HCOO]- 226.083331 159.4
[M+CH3COO]- 240.098981 184.3
[M+Na-2H]- 202.059796 140.9
[M]+ 181.08458142 136.9
[M]- 181.08567858 136.9
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

patents stripe