CID 15225763

(5s)-5-(2-methylpropyl)morpholin-3-one

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(C)C[C@H]1COCC(=O)N1

InChI

InChI=1S/C8H15NO2/c1-6(2)3-7-4-11-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t7-/m0/s1

InChIKey

DEWNYTYFDBHKCT-ZETCQYMHSA-N

Compound name

(5S)-5-(2-methylpropyl)morpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 157.11028 Da
Monoisotopic Mass: 1.0
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]+	158.11756	135.3
[M+Na]+	180.09950	145.5
[M+NH4]+	175.14410	142.7
[M+K]+	196.07344	140.9
[M-H]-	156.10300	136.7
[M+Na-2H]-	178.08495	138.4
[M]+	157.10973	136.8
[M]-	157.11083	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe