CID 3015849

Tridecyl myristate

Structural Information

Molecular Formula

C₂₇H₅₄O₂

SMILES

CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC

InChI

InChI=1S/C27H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

InChIKey

CTWLAMKOJQOQLN-UHFFFAOYSA-N

Compound name

tridecyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 335
Patents: 410.41238 Da
Monoisotopic Mass: 12.5
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]+	411.41966	219.0
[M+Na]+	433.40160	217.6
[M-H]-	409.40510	215.3
[M+NH4]+	428.44620	220.7
[M+K]+	449.37554	212.7
[M+H-H2O]+	393.40964	210.5
[M+HCOO]-	455.41058	232.6
[M+CH3COO]-	469.42623	233.0
[M+Na-2H]-	431.38705	213.6
[M]+	410.41183	229.8
[M]-	410.41293	229.8

Literature stripe

literature stripe

Patent stripe

patents stripe