CID 12262410

6-methoxy-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

Structural Information

Molecular Formula
C4H5N3O3
SMILES
COC1=NNC(=O)NC1=O
InChI
InChI=1S/C4H5N3O3/c1-10-3-2(8)5-4(9)7-6-3/h1H3,(H2,5,7,8,9)
InChIKey
OFIYORALZRISJU-UHFFFAOYSA-N
Compound name
6-methoxy-2H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

143.0331 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.040376 124.2
[M+Na]+ 166.022318 135.2
[M-H]- 142.025824 122.0
[M+NH4]+ 161.066923 140.5
[M+K]+ 181.996258 132.4
[M+H-H2O]+ 126.030360 117.3
[M+HCOO]- 188.031301 144.3
[M+CH3COO]- 202.046951 166.3
[M+Na-2H]- 164.007766 132.4
[M]+ 143.03255142 123.7
[M]- 143.03364858 123.7
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

patents stripe