CID 69377

Myristic anhydride

Structural Information

Molecular Formula

C₂₈H₅₄O₃

SMILES

CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

InChIKey

RCRYHUPTBJZEQS-UHFFFAOYSA-N

Compound name

tetradecanoyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1914
Patents: 438.4073 Da
Monoisotopic Mass: 12.4
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]+	439.41458	221.8
[M+Na]+	461.39652	228.8
[M+NH4]+	456.44112	227.0
[M+K]+	477.37046	226.5
[M-H]-	437.40002	212.6
[M+Na-2H]-	459.38197	219.0
[M]+	438.40675	223.1
[M]-	438.40785	223.1

Literature stripe

literature stripe

Patent stripe

patents stripe