CID 7131306

5-acetyl-6-methylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=C(C(=O)NC(=O)N1)C(=O)C
InChI
InChI=1S/C7H8N2O3/c1-3-5(4(2)10)6(11)9-7(12)8-3/h1-2H3,(H2,8,9,11,12)
InChIKey
YVGRMDHVDOHDAF-UHFFFAOYSA-N
Compound name
5-acetyl-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.0535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.6
[M+Na]+ 191.04272 141.4
[M-H]- 167.04622 130.0
[M+NH4]+ 186.08732 147.6
[M+K]+ 207.01666 138.0
[M+H-H2O]+ 151.05076 124.6
[M+HCOO]- 213.05170 150.4
[M+CH3COO]- 227.06735 173.7
[M+Na-2H]- 189.02817 135.6
[M]+ 168.05295 129.8
[M]- 168.05405 129.8
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