CID 3326674

4-(2-hexyloxy-ethyl)-morpholine

Structural Information

Molecular Formula

C₁₂H₂₅NO₂

SMILES

CCCCCCOCCN1CCOCC1

InChI

InChI=1S/C12H25NO2/c1-2-3-4-5-9-14-10-6-13-7-11-15-12-8-13/h2-12H2,1H3

InChIKey

JNTYXYNVUNFWCJ-UHFFFAOYSA-N

Compound name

4-(2-hexoxyethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 215.18852 Da
Monoisotopic Mass: 2.1
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]+	216.195796	154.1
[M+Na]+	238.177738	157.1
[M-H]-	214.181244	155.0
[M+NH4]+	233.222343	169.8
[M+K]+	254.151678	157.0
[M+H-H2O]+	198.185780	146.5
[M+HCOO]-	260.186721	171.5
[M+CH3COO]-	274.202371	188.1
[M+Na-2H]-	236.163186	158.6
[M]+	215.18797142	154.8
[M]-	215.18906858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.