CID 3025420

Uracil, 6-methyl-5-propyl-

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCCC1=C(NC(=O)NC1=O)C
InChI
InChI=1S/C8H12N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKey
SAQFHKPRFNXTBX-UHFFFAOYSA-N
Compound name
6-methyl-5-propyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

168.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 133.9
[M+Na]+ 191.079088 144.3
[M-H]- 167.082594 133.0
[M+NH4]+ 186.123693 151.1
[M+K]+ 207.053028 140.3
[M+H-H2O]+ 151.087130 127.7
[M+HCOO]- 213.088071 153.9
[M+CH3COO]- 227.103721 174.5
[M+Na-2H]- 189.064536 139.4
[M]+ 168.08932142 133.3
[M]- 168.09041858 133.3
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