CID 83440002

3-(5-phenyl-1,3,4-oxadiazol-2-yl)morpholine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

C1COCC(N1)C2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C12H13N3O2/c1-2-4-9(5-3-1)11-14-15-12(17-11)10-8-16-7-6-13-10/h1-5,10,13H,6-8H2

InChIKey

NQDXKSMJBUVSBJ-UHFFFAOYSA-N

Compound name

3-(5-phenyl-1,3,4-oxadiazol-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.10077 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.108046	150.2
[M+Na]+	254.089988	156.5
[M-H]-	230.093494	155.2
[M+NH4]+	249.134593	161.5
[M+K]+	270.063928	154.7
[M+H-H2O]+	214.098030	140.5
[M+HCOO]-	276.098971	166.0
[M+CH3COO]-	290.114621	161.1
[M+Na-2H]-	252.075436	155.5
[M]+	231.10022142	146.5
[M]-	231.10131858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.