CID 580924

2-methyl-4,6-pyrimidinedione

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CC1=NC(=O)CC(=O)N1
InChI
InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9)
InChIKey
GNVCKXIBBIIFPE-UHFFFAOYSA-N
Compound name
2-methyl-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

126.04293 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 122.5
[M+Na]+ 149.03215 131.6
[M-H]- 125.03565 122.4
[M+NH4]+ 144.07675 141.5
[M+K]+ 165.00609 129.8
[M+H-H2O]+ 109.04019 116.4
[M+HCOO]- 171.04113 142.2
[M+CH3COO]- 185.05678 167.2
[M+Na-2H]- 147.01760 128.9
[M]+ 126.04238 119.5
[M]- 126.04348 119.5
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.