CID 73265

3-butyluracil

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCCCN1C(=O)C=CNC1=O
InChI
InChI=1S/C8H12N2O2/c1-2-3-6-10-7(11)4-5-9-8(10)12/h4-5H,2-3,6H2,1H3,(H,9,12)
InChIKey
RCRMCLIRQDBAGO-UHFFFAOYSA-N
Compound name
3-butyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

168.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 133.1
[M+Na]+ 191.07909 143.0
[M-H]- 167.08259 133.2
[M+NH4]+ 186.12369 150.8
[M+K]+ 207.05303 139.9
[M+H-H2O]+ 151.08713 126.4
[M+HCOO]- 213.08807 154.7
[M+CH3COO]- 227.10372 175.8
[M+Na-2H]- 189.06454 140.0
[M]+ 168.08932 134.1
[M]- 168.09042 134.1
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.