CID 94793

4-dodecanoylmorpholine

Structural Information

Molecular Formula

C₁₆H₃₁NO₂

SMILES

CCCCCCCCCCCC(=O)N1CCOCC1

InChI

InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-9-10-11-16(18)17-12-14-19-15-13-17/h2-15H2,1H3

InChIKey

CIGPQLJUBWRNNX-UHFFFAOYSA-N

Compound name

1-morpholin-4-yldodecan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 269.23547 Da
Monoisotopic Mass: 4.5
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]+	270.242746	171.9
[M+Na]+	292.224688	173.3
[M-H]-	268.228194	172.1
[M+NH4]+	287.269293	185.2
[M+K]+	308.198628	172.0
[M+H-H2O]+	252.232730	163.6
[M+HCOO]-	314.233671	187.1
[M+CH3COO]-	328.249321	199.4
[M+Na-2H]-	290.210136	172.9
[M]+	269.23492142	172.6
[M]-	269.23601858	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe