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 147.4
[M+Na]+ 242.08999 155.7
[M-H]- 218.09349 152.2
[M+NH4]+ 237.13459 163.1
[M+K]+ 258.06393 154.5
[M+H-H2O]+ 202.09803 139.5
[M+HCOO]- 264.09897 169.3
[M+CH3COO]- 278.11462 188.1
[M+Na-2H]- 240.07544 154.8
[M]+ 219.10022 148.9
[M]- 219.10132 148.9
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.