CID 175013

2-ethoxyethyl stearate

Structural Information

Molecular Formula

C₂₂H₄₄O₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCOCC

InChI

InChI=1S/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)25-21-20-24-4-2/h3-21H2,1-2H3

InChIKey

MFEWWQYHAZUIDX-UHFFFAOYSA-N

Compound name

2-ethoxyethyl octadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 356.32904 Da
Monoisotopic Mass: 8.7
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]+	357.33632	196.9
[M+Na]+	379.31826	203.5
[M+NH4]+	374.36286	201.4
[M+K]+	395.29220	195.0
[M-H]-	355.32176	194.8
[M+Na-2H]-	377.30371	196.0
[M]+	356.32849	196.9
[M]-	356.32959	196.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe