CID 3075981

129521-49-9

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CN1C(=NNC1=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C10H11N3O2/c1-13-9(11-12-10(13)14)7-3-5-8(15-2)6-4-7/h3-6H,1-2H3,(H,12,14)
InChIKey
DXQFDIPJCAMXTM-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 142.5
[M+Na]+ 228.074348 153.4
[M-H]- 204.077854 145.0
[M+NH4]+ 223.118953 159.0
[M+K]+ 244.048288 149.7
[M+H-H2O]+ 188.082390 134.3
[M+HCOO]- 250.083331 164.2
[M+CH3COO]- 264.098981 182.3
[M+Na-2H]- 226.059796 147.4
[M]+ 205.08458142 144.0
[M]- 205.08567858 144.0
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

No patent data available for this compound.