CID 20063803

5-isopropylmorpholin-3-one

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(C)C1COCC(=O)N1

InChI

InChI=1S/C7H13NO2/c1-5(2)6-3-10-4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)

InChIKey

DGOLJYXTOMTIEE-UHFFFAOYSA-N

Compound name

5-propan-2-ylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
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	130.8
[M+Na]+	166.08386	141.2
[M+NH4]+	161.12846	138.4
[M+K]+	182.05780	136.9
[M-H]-	142.08736	132.3
[M+Na-2H]-	164.06931	134.2
[M]+	143.09409	132.4
[M]-	143.09519	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe