CID 4103062

3,6,9,12-tetraoxaoctadecanoicacid

Structural Information

Molecular Formula

C₁₄H₂₈O₆

SMILES

CCCCCCOCCOCCOCCOCC(=O)O

InChI

InChI=1S/C14H28O6/c1-2-3-4-5-6-17-7-8-18-9-10-19-11-12-20-13-14(15)16/h2-13H2,1H3,(H,15,16)

InChIKey

CZCCHIDOMPOGLB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 354
Patents: 292.1886 Da
Monoisotopic Mass: 1.6
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]+	293.195876	170.9
[M+Na]+	315.177818	174.0
[M-H]-	291.181324	168.1
[M+NH4]+	310.222423	185.4
[M+K]+	331.151758	173.7
[M+H-H2O]+	275.185860	164.0
[M+HCOO]-	337.186801	191.1
[M+CH3COO]-	351.202451	200.4
[M+Na-2H]-	313.163266	172.2
[M]+	292.18805142	180.7
[M]-	292.18914858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe