CID 53303694

Ns00095101

Structural Information

Molecular Formula

C₁₈H₃₆O₄

SMILES

CCCCCCCCCCCCCCOCCOCC(=O)O

InChI

InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-16-22-17-18(19)20/h2-17H2,1H3,(H,19,20)

InChIKey

CPNCDZVYKRFQGV-UHFFFAOYSA-N

Compound name

2-(2-tetradecoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 316.26135 Da
Monoisotopic Mass: 6.2
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]+	317.268626	184.6
[M+Na]+	339.250568	186.2
[M-H]-	315.254074	181.1
[M+NH4]+	334.295173	198.3
[M+K]+	355.224508	183.8
[M+H-H2O]+	299.258610	177.5
[M+HCOO]-	361.259551	203.0
[M+CH3COO]-	375.275201	208.3
[M+Na-2H]-	337.236016	183.6
[M]+	316.26080142	193.0
[M]-	316.26189858	193.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe