CID 98991

Morpholine, 4-(2-ethylhexanoyl)-

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: 7
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]+	214.180156	153.9
[M+Na]+	236.162098	156.8
[M-H]-	212.165604	155.1
[M+NH4]+	231.206703	169.5
[M+K]+	252.136038	157.0
[M+H-H2O]+	196.170140	146.6
[M+HCOO]-	258.171081	169.5
[M+CH3COO]-	272.186731	188.3
[M+Na-2H]-	234.147546	155.9
[M]+	213.17233142	152.5
[M]-	213.17342858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe