CID 13337739

25736-86-1

Structural Information

Molecular Formula

C₂₄H₄₆O₁₂

SMILES

CC(=C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C24H46O12/c1-23(2)24(26)36-22-21-35-20-19-34-18-17-33-16-15-32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-4-3-25/h25H,1,3-22H2,2H3

InChIKey

ANVPMFOXHJVWBT-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 211
Patents: 526.29895 Da
Monoisotopic Mass: -0.9
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]+	527.306226	237.6
[M+Na]+	549.288168	239.8
[M-H]-	525.291674	230.7
[M+NH4]+	544.332773	243.3
[M+K]+	565.262108	235.3
[M+H-H2O]+	509.296210	239.4
[M+HCOO]-	571.297151	246.1
[M+CH3COO]-	585.312801	240.2
[M+Na-2H]-	547.273616	222.6
[M]+	526.29840142	238.9
[M]-	526.29949858	238.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe