CID 6443825

Cetyl myristoleate

Structural Information

Molecular Formula

C₃₀H₅₈O₂

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCC

InChI

InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h10,12H,3-9,11,13-29H2,1-2H3/b12-10-

InChIKey

DYIOQMKBBPSAFY-BENRWUELSA-N

Compound name

hexadecyl (Z)-tetradec-9-enoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 8
References: 1050
Patents: 450.4437 Da
Monoisotopic Mass: 13.2
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]+	451.450976	230.3
[M+Na]+	473.432918	228.0
[M-H]-	449.436424	214.0
[M+NH4]+	468.477523	229.5
[M+K]+	489.406858	221.7
[M+H-H2O]+	433.440960	221.4
[M+HCOO]-	495.441901	240.8
[M+CH3COO]-	509.457551	240.2
[M+Na-2H]-	471.418366	223.4
[M]+	450.44315142	231.8
[M]-	450.44424858	231.8

Literature stripe

literature stripe

Patent stripe

patents stripe