CID 98991

4-(2-ethylhexanoyl)morpholine

Structural Information

Molecular Formula

C₁₂H₂₃NO₂

SMILES

CCCCC(CC)C(=O)N1CCOCC1

InChI

InChI=1S/C12H23NO2/c1-3-5-6-11(4-2)12(14)13-7-9-15-10-8-13/h11H,3-10H2,1-2H3

InChIKey

WJNJRMDHLZDCJH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 213.17288 Da
Monoisotopic Mass: 2.2
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]+	214.18016	153.1
[M+Na]+	236.16210	162.2
[M+NH4]+	231.20670	160.0
[M+K]+	252.13604	157.1
[M-H]-	212.16560	154.6
[M+Na-2H]-	234.14755	155.6
[M]+	213.17233	154.5
[M]-	213.17343	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe