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

literature stripe

Patent stripe

patents stripe