CID 201251

5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C9H9N3O2
SMILES
COC1=CC=CC=C1C2=NN=C(O2)N
InChI
InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKey
HTILGWBWTPTFES-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

191.06947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 137.9
[M+Na]+ 214.058688 147.6
[M-H]- 190.062194 143.0
[M+NH4]+ 209.103293 154.9
[M+K]+ 230.032628 146.3
[M+H-H2O]+ 174.066730 129.9
[M+HCOO]- 236.067671 162.0
[M+CH3COO]- 250.083321 182.8
[M+Na-2H]- 212.044136 144.7
[M]+ 191.06892142 139.6
[M]- 191.07001858 139.6
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