CID 96369

Oxymethacil

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CC1=C(C(=O)NC(=O)N1)O
InChI
InChI=1S/C5H6N2O3/c1-2-3(8)4(9)7-5(10)6-2/h8H,1H3,(H2,6,7,9,10)
InChIKey
CMRSBOGQMSQPFW-UHFFFAOYSA-N
Compound name
5-hydroxy-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

65
Patents

142.03784 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 124.3
[M+Na]+ 165.02706 135.4
[M-H]- 141.03056 122.5
[M+NH4]+ 160.07166 141.7
[M+K]+ 181.00100 131.7
[M+H-H2O]+ 125.03510 118.7
[M+HCOO]- 187.03604 144.0
[M+CH3COO]- 201.05169 165.1
[M+Na-2H]- 163.01251 130.8
[M]+ 142.03729 122.2
[M]- 142.03839 122.2
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