CID 116984956

3-(oxetan-3-yl)morpholine

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1COCC(N1)C2COC2

InChI

InChI=1S/C7H13NO2/c1-2-9-5-7(8-1)6-3-10-4-6/h6-8H,1-5H2

InChIKey

TVKHPGDPKYJAPM-UHFFFAOYSA-N

Compound name

3-(oxetan-3-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 Da
Monoisotopic Mass: -0.6
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]+	144.10192	121.7
[M+Na]+	166.08386	125.0
[M-H]-	142.08736	125.8
[M+NH4]+	161.12846	131.7
[M+K]+	182.05780	129.4
[M+H-H2O]+	126.09190	110.3
[M+HCOO]-	188.09284	137.0
[M+CH3COO]-	202.10849	172.5
[M+Na-2H]-	164.06931	129.5
[M]+	143.09409	125.3
[M]-	143.09519	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.