CID 165345839

Refchem:468137

Structural Information

Molecular Formula

C₁₄H₃₀O₂

SMILES

CCCCCCC(CCCC)COCCO

InChI

InChI=1S/C14H30O2/c1-3-5-7-8-10-14(9-6-4-2)13-16-12-11-15/h14-15H,3-13H2,1-2H3

InChIKey

JLXNHGNJNWKTFI-UHFFFAOYSA-N

Compound name

2-(2-butyloctoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 230.22458 Da
Monoisotopic Mass: 4.7
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]+	231.231856	163.0
[M+Na]+	253.213798	166.2
[M-H]-	229.217304	160.4
[M+NH4]+	248.258403	180.5
[M+K]+	269.187738	164.4
[M+H-H2O]+	213.221840	157.1
[M+HCOO]-	275.222781	182.1
[M+CH3COO]-	289.238431	193.4
[M+Na-2H]-	251.199246	163.9
[M]+	230.22403142	167.7
[M]-	230.22512858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe