CID 116679

70703-47-8

Structural Information

Molecular Formula

C₂₃H₄₄O₅

SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCCOC)OC(=O)C

InChI

InChI=1S/C23H44O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h22H,4-20H2,1-3H3

InChIKey

QVEPPTMINGAUIA-UHFFFAOYSA-N

Compound name

2-methoxyethyl 12-acetyloxyoctadecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 400.31888 Da
Monoisotopic Mass: 7.1
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]+	401.326156	209.3
[M+Na]+	423.308098	209.3
[M-H]-	399.311604	202.0
[M+NH4]+	418.352703	215.5
[M+K]+	439.282038	207.4
[M+H-H2O]+	383.316140	201.3
[M+HCOO]-	445.317081	219.5
[M+CH3COO]-	459.332731	226.8
[M+Na-2H]-	421.293546	203.8
[M]+	400.31833142	212.7
[M]-	400.31942858	212.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.