CID 14099

1075-59-8

Structural Information

Molecular Formula
C5H7N3O3
SMILES
COC1=NC(=NC(=O)N1)OC
InChI
InChI=1S/C5H7N3O3/c1-10-4-6-3(9)7-5(8-4)11-2/h1-2H3,(H,6,7,8,9)
InChIKey
ABWQLBWYPYHBHW-UHFFFAOYSA-N
Compound name
4,6-dimethoxy-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

157.04874 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.056016 128.3
[M+Na]+ 180.037958 139.1
[M-H]- 156.041464 127.4
[M+NH4]+ 175.082563 144.9
[M+K]+ 196.011898 137.7
[M+H-H2O]+ 140.046000 121.0
[M+HCOO]- 202.046941 149.5
[M+CH3COO]- 216.062591 172.6
[M+Na-2H]- 178.023406 136.7
[M]+ 157.04819142 130.8
[M]- 157.04928858 130.8
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