CID 3061071

78613-24-8

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(C)(C1=NN=C(O1)N)OC2=CC=CC=C2
InChI
InChI=1S/C11H13N3O2/c1-11(2,9-13-14-10(12)15-9)16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,14)
InChIKey
GADIEZUXDFCNRO-UHFFFAOYSA-N
Compound name
5-(2-phenoxypropan-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.3
[M+Na]+ 242.08999 159.2
[M+NH4]+ 237.13459 154.3
[M+K]+ 258.06393 156.6
[M-H]- 218.09349 150.6
[M+Na-2H]- 240.07544 154.5
[M]+ 219.10022 149.8
[M]- 219.10132 149.8
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.