CID 3021709

3,6-dimethyl-5-propyluracil

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CCCC1=C(NC(=O)N(C1=O)C)C
InChI
InChI=1S/C9H14N2O2/c1-4-5-7-6(2)10-9(13)11(3)8(7)12/h4-5H2,1-3H3,(H,10,13)
InChIKey
JWHXRPRJUQVXHG-UHFFFAOYSA-N
Compound name
3,6-dimethyl-5-propyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 136.8
[M+Na]+ 205.094748 148.2
[M-H]- 181.098254 137.5
[M+NH4]+ 200.139353 154.6
[M+K]+ 221.068688 144.9
[M+H-H2O]+ 165.102790 130.5
[M+HCOO]- 227.103731 158.0
[M+CH3COO]- 241.119381 181.3
[M+Na-2H]- 203.080196 141.7
[M]+ 182.10498142 139.0
[M]- 182.10607858 139.0
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.