CID 14967491

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

Structural Information

Molecular Formula
C9H9N3O2
SMILES
COC1=CC=C(C=C1)C2=NC(=NO2)N
InChI
InChI=1S/C9H9N3O2/c1-13-7-4-2-6(3-5-7)8-11-9(10)12-14-8/h2-5H,1H3,(H2,10,12)
InChIKey
XKJZMTPVMCKYKA-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.