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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.2
[M+Na]+ 254.08999 156.5
[M-H]- 230.09349 155.2
[M+NH4]+ 249.13459 161.5
[M+K]+ 270.06393 154.7
[M+H-H2O]+ 214.09803 140.5
[M+HCOO]- 276.09897 166.0
[M+CH3COO]- 290.11462 161.1
[M+Na-2H]- 252.07544 155.5
[M]+ 231.10022 146.5
[M]- 231.10132 146.5
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.