CID 10040734

Undeceth-3

Structural Information

Molecular Formula

C₁₇H₃₆O₄

SMILES

CCCCCCCCCCCOCCOCCOCCO

InChI

InChI=1S/C17H36O4/c1-2-3-4-5-6-7-8-9-10-12-19-14-16-21-17-15-20-13-11-18/h18H,2-17H2,1H3

InChIKey

ASULYNFXTCGEAN-UHFFFAOYSA-N

Compound name

2-[2-(2-undecoxyethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 744
Patents: 304.26135 Da
Monoisotopic Mass: 4.3
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]+	305.268626	180.6
[M+Na]+	327.250568	182.6
[M-H]-	303.254074	177.2
[M+NH4]+	322.295173	195.0
[M+K]+	343.224508	180.5
[M+H-H2O]+	287.258610	173.5
[M+HCOO]-	349.259551	200.2
[M+CH3COO]-	363.275201	205.4
[M+Na-2H]-	325.236016	181.4
[M]+	304.26080142	190.0
[M]-	304.26189858	190.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe