CID 390138

79369-38-3

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC=C(C=C1)N2C(=NNC2=O)C
InChI
InChI=1S/C10H11N3O/c1-7-3-5-9(6-4-7)13-8(2)11-12-10(13)14/h3-6H,1-2H3,(H,12,14)
InChIKey
SLSVSWZAJBJHTQ-UHFFFAOYSA-N
Compound name
3-methyl-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.6
[M+Na]+ 212.07943 150.6
[M-H]- 188.08293 142.1
[M+NH4]+ 207.12403 156.8
[M+K]+ 228.05337 146.3
[M+H-H2O]+ 172.08747 131.6
[M+HCOO]- 234.08841 161.0
[M+CH3COO]- 248.10406 180.2
[M+Na-2H]- 210.06488 144.4
[M]+ 189.08966 139.6
[M]- 189.09076 139.6
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.