CID 79006248

3190-32-7

Structural Information

Molecular Formula
C9H10N4O
SMILES
CN1C(=O)N(C(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C9H10N4O/c1-12-9(14)13(8(10)11-12)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11)
InChIKey
GDJJVMDPIUWOIJ-UHFFFAOYSA-N
Compound name
5-amino-2-methyl-4-phenyl-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.092736 138.9
[M+Na]+ 213.074678 149.9
[M-H]- 189.078184 142.5
[M+NH4]+ 208.119283 156.2
[M+K]+ 229.048618 146.3
[M+H-H2O]+ 173.082720 130.5
[M+HCOO]- 235.083661 162.6
[M+CH3COO]- 249.099311 184.0
[M+Na-2H]- 211.060126 144.3
[M]+ 190.08491142 138.8
[M]- 190.08600858 138.8
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

No patent data available for this compound.