CID 384493

Nsc674326

Structural Information

Molecular Formula
C9H10N4O
SMILES
CC1=CC=C(C=C1)C2=NNC(=O)N2N
InChI
InChI=1S/C9H10N4O/c1-6-2-4-7(5-3-6)8-11-12-9(14)13(8)10/h2-5H,10H2,1H3,(H,12,14)
InChIKey
XBTQMVNOVUGQPW-UHFFFAOYSA-N
Compound name
4-amino-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 139.6
[M+Na]+ 213.07468 150.2
[M-H]- 189.07818 141.8
[M+NH4]+ 208.11928 156.2
[M+K]+ 229.04862 145.7
[M+H-H2O]+ 173.08272 131.4
[M+HCOO]- 235.08366 161.8
[M+CH3COO]- 249.09931 152.5
[M+Na-2H]- 211.06013 144.5
[M]+ 190.08491 137.7
[M]- 190.08601 137.7
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.