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]+ 192.07675 137.9
[M+Na]+ 214.05869 147.6
[M-H]- 190.06219 143.0
[M+NH4]+ 209.10329 154.9
[M+K]+ 230.03263 146.3
[M+H-H2O]+ 174.06673 129.9
[M+HCOO]- 236.06767 162.0
[M+CH3COO]- 250.08332 182.8
[M+Na-2H]- 212.04414 144.7
[M]+ 191.06892 139.6
[M]- 191.07002 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.