CID 117616

25727-93-9

Structural Information

Molecular Formula

C₁₈H₃₇NO

SMILES

CCCCCCCCCCCCCCN1CCOCC1

InChI

InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20-18-16-19/h2-18H2,1H3

InChIKey

JMJDXDJTXDRLAL-UHFFFAOYSA-N

Compound name

4-tetradecylmorpholine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 48
Patents: 283.2875 Da
Monoisotopic Mass: 6.6
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]+	284.294776	178.3
[M+Na]+	306.276718	178.7
[M-H]-	282.280224	178.0
[M+NH4]+	301.321323	191.2
[M+K]+	322.250658	176.6
[M+H-H2O]+	266.284760	169.6
[M+HCOO]-	328.285701	193.4
[M+CH3COO]-	342.301351	204.2
[M+Na-2H]-	304.262166	179.4
[M]+	283.28695142	179.7
[M]-	283.28804858	179.7

Literature stripe

literature stripe

Patent stripe

patents stripe