CID 139595336

Ns00095320

Structural Information

Molecular Formula

C₂₀H₄₀O₆

SMILES

CCCCCCCCCCCCOCCOCCC(=O)OCC(CO)O

InChI

InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-16-25-14-12-20(23)26-18-19(22)17-21/h19,21-22H,2-18H2,1H3

InChIKey

HWRXGAKHLPEOQW-UHFFFAOYSA-N

Compound name

2,3-dihydroxypropyl 3-(2-dodecoxyethoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 376.2825 Da
Monoisotopic Mass: 4.0
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]+	377.289776	199.0
[M+Na]+	399.271718	198.9
[M-H]-	375.275224	193.7
[M+NH4]+	394.316323	202.9
[M+K]+	415.245658	196.8
[M+H-H2O]+	359.279760	191.3
[M+HCOO]-	421.280701	211.9
[M+CH3COO]-	435.296351	215.7
[M+Na-2H]-	397.257166	195.4
[M]+	376.28195142	208.3
[M]-	376.28304858	208.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.