CID 3061073

Brn 4470277

Structural Information

Molecular Formula
C11H12ClN3O2
SMILES
CC(C)(C1=NN=C(O1)N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClN3O2/c1-11(2,9-14-15-10(13)16-9)17-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H2,13,15)
InChIKey
CQYHERUQPTUPJJ-UHFFFAOYSA-N
Compound name
5-[2-(4-chlorophenoxy)propan-2-yl]-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06908 155.4
[M+Na]+ 276.05102 165.2
[M-H]- 252.05452 160.2
[M+NH4]+ 271.09562 170.7
[M+K]+ 292.02496 162.1
[M+H-H2O]+ 236.05906 147.8
[M+HCOO]- 298.06000 172.4
[M+CH3COO]- 312.07565 193.0
[M+Na-2H]- 274.03647 161.3
[M]+ 253.06125 159.1
[M]- 253.06235 159.1
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.