CID 71758669

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

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC1=NC(=NO1)C2CNCCO2

InChI

InChI=1S/C7H11N3O2/c1-5-9-7(10-12-5)6-4-8-2-3-11-6/h6,8H,2-4H2,1H3

InChIKey

BODOVUIEOQOQKC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 169.08513 Da
Monoisotopic Mass: -0.4
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]+	170.092406	135.4
[M+Na]+	192.074348	142.5
[M-H]-	168.077854	137.5
[M+NH4]+	187.118953	149.8
[M+K]+	208.048288	142.6
[M+H-H2O]+	152.082390	127.1
[M+HCOO]-	214.083331	151.5
[M+CH3COO]-	228.098981	147.4
[M+Na-2H]-	190.059796	141.1
[M]+	169.08458142	132.5
[M]-	169.08567858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe