CID 8047

Butyl myristate

Structural Information

Molecular Formula

C₁₈H₃₆O₂

SMILES

CCCCCCCCCCCCCC(=O)OCCCC

InChI

InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3

InChIKey

DHAZIUXMHRHVMP-UHFFFAOYSA-N

Compound name

butyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 13029
Patents: 284.27155 Da
Monoisotopic Mass: 7.6
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]+	285.27883	176.7
[M+Na]+	307.26077	184.6
[M+NH4]+	302.30537	182.6
[M+K]+	323.23471	176.6
[M-H]-	283.26427	175.4
[M+Na-2H]-	305.24622	177.4
[M]+	284.27100	177.2
[M]-	284.27210	177.2

Literature stripe

literature stripe

Patent stripe

patents stripe