CID 202711

13146-43-5

Structural Information

Molecular Formula

C₁₃H₂₅NO₂

SMILES

CCCCC(C)(CC)C(=O)N1CCOCC1

InChI

InChI=1S/C13H25NO2/c1-4-6-7-13(3,5-2)12(15)14-8-10-16-11-9-14/h4-11H2,1-3H3

InChIKey

AXZANOURTPQIGW-UHFFFAOYSA-N

Compound name

2-ethyl-2-methyl-1-morpholin-4-ylhexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 227.18852 Da
Monoisotopic Mass: 2.5
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]+	228.19580	156.7
[M+Na]+	250.17774	165.7
[M+NH4]+	245.22234	163.4
[M+K]+	266.15168	160.8
[M-H]-	226.18124	157.8
[M+Na-2H]-	248.16319	159.3
[M]+	227.18797	158.1
[M]-	227.18907	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe