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

literature stripe

Patent stripe

patents stripe