CID 154267

Laureth-7 carboxylic acid

Structural Information

Molecular Formula

C₁₆H₃₂O₄

SMILES

CCCCCCCCCCCCOCCOCC(=O)O

InChI

InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16(17)18/h2-15H2,1H3,(H,17,18)

InChIKey

OUNZARDETXBPIX-UHFFFAOYSA-N

Compound name

2-(2-dodecoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2558
Patents: 288.23007 Da
Monoisotopic Mass: 5.1
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]+	289.23735	175.6
[M+Na]+	311.21929	178.2
[M-H]-	287.22279	172.6
[M+NH4]+	306.26389	190.5
[M+K]+	327.19323	176.2
[M+H-H2O]+	271.22733	168.9
[M+HCOO]-	333.22827	194.8
[M+CH3COO]-	347.24392	202.3
[M+Na-2H]-	309.20474	175.7
[M]+	288.22952	183.3
[M]-	288.23062	183.3

Literature stripe

literature stripe

Patent stripe

patents stripe