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

3
Annotation Hits: 6
References: 2145
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]+	439.414576	225.6
[M+Na]+	461.396518	223.9
[M-H]-	437.400024	211.2
[M+NH4]+	456.441123	226.2
[M+K]+	477.370458	219.1
[M+H-H2O]+	421.404560	217.0
[M+HCOO]-	483.405501	233.7
[M+CH3COO]-	497.421151	236.9
[M+Na-2H]-	459.381966	218.6
[M]+	438.40675142	226.2
[M]-	438.40784858	226.2

Literature stripe

literature stripe

Patent stripe

patents stripe