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]+ 144.04038 124.2
[M+Na]+ 166.02232 135.2
[M-H]- 142.02582 122.0
[M+NH4]+ 161.06692 140.5
[M+K]+ 181.99626 132.4
[M+H-H2O]+ 126.03036 117.3
[M+HCOO]- 188.03130 144.3
[M+CH3COO]- 202.04695 166.3
[M+Na-2H]- 164.00777 132.4
[M]+ 143.03255 123.7
[M]- 143.03365 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