CID 21139506

Dlhmwlgytlbhjo-uhfffaoysa-n

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.04293 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 122.5
[M+Na]+ 149.032148 131.6
[M-H]- 125.035654 122.4
[M+NH4]+ 144.076753 141.5
[M+K]+ 165.006088 129.8
[M+H-H2O]+ 109.040190 116.4
[M+HCOO]- 171.041131 142.2
[M+CH3COO]- 185.056781 167.2
[M+Na-2H]- 147.017596 128.9
[M]+ 126.04238142 119.5
[M]- 126.04347858 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.