CID 19892588

39927-09-8

Structural Information

Molecular Formula

C₁₇H₃₂O₃

SMILES

CCCCCCCCCCCCOCCOC(=O)C=C

InChI

InChI=1S/C17H32O3/c1-3-5-6-7-8-9-10-11-12-13-14-19-15-16-20-17(18)4-2/h4H,2-3,5-16H2,1H3

InChIKey

AYECFHVXDMYXPX-UHFFFAOYSA-N

Compound name

2-dodecoxyethyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 284.23514 Da
Monoisotopic Mass: 6.1
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]+	285.242416	175.7
[M+Na]+	307.224358	178.8
[M-H]-	283.227864	174.1
[M+NH4]+	302.268963	191.6
[M+K]+	323.198298	176.3
[M+H-H2O]+	267.232400	169.0
[M+HCOO]-	329.233341	196.1
[M+CH3COO]-	343.248991	204.5
[M+Na-2H]-	305.209806	175.7
[M]+	284.23459142	183.5
[M]-	284.23568858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe