CID 766687

2-(4-methoxyphenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC1=CC=C(C=C1)C2=NN=CO2
InChI
InChI=1S/C9H8N2O2/c1-12-8-4-2-7(3-5-8)9-11-10-6-13-9/h2-6H,1H3
InChIKey
GYESXRJGLIKNAM-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

176.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 132.9
[M+Na]+ 199.04780 142.7
[M-H]- 175.05130 138.2
[M+NH4]+ 194.09240 150.8
[M+K]+ 215.02174 142.0
[M+H-H2O]+ 159.05584 125.2
[M+HCOO]- 221.05678 156.7
[M+CH3COO]- 235.07243 147.4
[M+Na-2H]- 197.03325 141.1
[M]+ 176.05803 135.9
[M]- 176.05913 135.9
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

patents stripe