CID 135966770

62036-31-1

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC(=CC=C1C2=NNC(=O)N2)N
InChI
InChI=1S/C8H8N4O/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,9H2,(H2,10,11,12,13)
InChIKey
PTRGALQIJCOLDX-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

176.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 135.4
[M+Na]+ 199.05903 147.4
[M+NH4]+ 194.10363 141.9
[M+K]+ 215.03297 144.4
[M-H]- 175.06253 136.5
[M+Na-2H]- 197.04448 142.4
[M]+ 176.06926 137.1
[M]- 176.07036 137.1
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