CID 170122

38815-90-6

Structural Information

Molecular Formula

C₂₂H₄₄O₄

SMILES

CCCCCCCCCCCCCCCCCCOCCOCC(=O)O

InChI

InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24/h2-21H2,1H3,(H,23,24)

InChIKey

PYOQKNDWYLTXRD-UHFFFAOYSA-N

Compound name

2-(2-octadecoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 127
Patents: 372.32397 Da
Monoisotopic Mass: 8.4
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]+	373.331246	202.2
[M+Na]+	395.313188	202.2
[M-H]-	371.316694	197.9
[M+NH4]+	390.357793	204.8
[M+K]+	411.287128	198.7
[M+H-H2O]+	355.321230	194.3
[M+HCOO]-	417.322171	219.3
[M+CH3COO]-	431.337821	220.0
[M+Na-2H]-	393.298636	199.1
[M]+	372.32342142	212.1
[M]-	372.32451858	212.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe