CID 3061070

5-(1-(4-chloro-3-methylphenoxy)ethyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
CC1=C(C=CC(=C1)OC(C)C2=NN=C(O2)N)Cl
InChI
InChI=1S/C11H12ClN3O2/c1-6-5-8(3-4-9(6)12)16-7(2)10-14-15-11(13)17-10/h3-5,7H,1-2H3,(H2,13,15)
InChIKey
PPMZGXZAGGZWRE-UHFFFAOYSA-N
Compound name
5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0618 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 154.0
[M+Na]+ 276.05102 167.5
[M+NH4]+ 271.09562 161.3
[M+K]+ 292.02496 163.8
[M-H]- 252.05452 157.9
[M+Na-2H]- 274.03647 160.4
[M]+ 253.06125 157.2
[M]- 253.06235 157.2
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.