CID 135949949

109519-47-3

Structural Information

Molecular Formula
C10H9N3O3
SMILES
COC(=O)C1=NN(C(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C10H9N3O3/c1-16-9(14)8-11-10(15)13(12-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,15)
InChIKey
WAKOVLAELXMNMD-UHFFFAOYSA-N
Compound name
methyl 5-oxo-1-phenyl-4H-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.06439 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 146.1
[M+Na]+ 242.05361 158.6
[M+NH4]+ 237.09821 151.8
[M+K]+ 258.02755 155.9
[M-H]- 218.05711 146.2
[M+Na-2H]- 240.03906 152.5
[M]+ 219.06384 147.6
[M]- 219.06494 147.6
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