CID 68329864

Octahydropyrano[3,4-b]morpholine

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1COCC2C1NCCO2

InChI

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

InChIKey

PMVVAENUEIYCPG-UHFFFAOYSA-N

Compound name

1,2,3,4a,5,7,8,8a-octahydropyrano[3,4-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 143.09464 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]+	144.10192	130.2
[M+Na]+	166.08386	141.0
[M+NH4]+	161.12846	139.2
[M+K]+	182.05780	135.9
[M-H]-	142.08736	134.2
[M+Na-2H]-	164.06931	133.4
[M]+	143.09409	132.7
[M]-	143.09519	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe