CID 10871309

Laureth-3 carboxylic acid

Structural Information

Molecular Formula

C₁₈H₃₆O₅

SMILES

CCCCCCCCCCCCOCCOCCOCC(=O)O

InChI

InChI=1S/C18H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-14-22-15-16-23-17-18(19)20/h2-17H2,1H3,(H,19,20)

InChIKey

VUCGAFPTLRWSEB-UHFFFAOYSA-N

Compound name

2-[2-(2-dodecoxyethoxy)ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 724
Patents: 332.2563 Da
Monoisotopic Mass: 5.0
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]+	333.263576	186.8
[M+Na]+	355.245518	188.3
[M-H]-	331.249024	183.3
[M+NH4]+	350.290123	199.8
[M+K]+	371.219458	186.4
[M+H-H2O]+	315.253560	179.4
[M+HCOO]-	377.254501	205.4
[M+CH3COO]-	391.270151	210.2
[M+Na-2H]-	353.230966	185.9
[M]+	332.25575142	196.6
[M]-	332.25684858	196.6

Literature stripe

literature stripe

Patent stripe

patents stripe