CID 61899

Dodemorph

Structural Information

Molecular Formula

C₁₈H₃₅NO

SMILES

CC1CN(CC(O1)C)C2CCCCCCCCCCC2

InChI

InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3

InChIKey

JMXKCYUTURMERF-UHFFFAOYSA-N

Compound name

4-cyclododecyl-2,6-dimethylmorpholine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 32605
Patents: 281.27185 Da
Monoisotopic Mass: 5.8
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]+	282.279126	171.4
[M+Na]+	304.261068	170.9
[M-H]-	280.264574	172.4
[M+NH4]+	299.305673	181.2
[M+K]+	320.235008	170.1
[M+H-H2O]+	264.269110	165.9
[M+HCOO]-	326.270051	180.9
[M+CH3COO]-	340.285701	195.5
[M+Na-2H]-	302.246516	168.9
[M]+	281.27130142	158.1
[M]-	281.27239858	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe