CID 16228097

3-(1,3,4-oxadiazol-2-yl)aniline

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC(=CC(=C1)N)C2=NN=CO2
InChI
InChI=1S/C8H7N3O/c9-7-3-1-2-6(4-7)8-11-10-5-12-8/h1-5H,9H2
InChIKey
BNGIMWCROMYOKW-UHFFFAOYSA-N
Compound name
3-(1,3,4-oxadiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

161.05891 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 129.9
[M+Na]+ 184.04813 139.3
[M-H]- 160.05163 134.8
[M+NH4]+ 179.09273 147.9
[M+K]+ 200.02207 137.7
[M+H-H2O]+ 144.05617 122.0
[M+HCOO]- 206.05711 154.2
[M+CH3COO]- 220.07276 144.1
[M+Na-2H]- 182.03358 138.1
[M]+ 161.05836 129.4
[M]- 161.05946 129.4
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