CID 57186

97209-97-7

Structural Information

Molecular Formula

C₁₄H₃₀O₂

SMILES

CCCCCCCCCCOCCCCO

InChI

InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15/h15H,2-14H2,1H3

InChIKey

XFAINZYOLTZQEX-UHFFFAOYSA-N

Compound name

4-decoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 230.22458 Da
Monoisotopic Mass: 5.1
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]+	231.23186	162.1
[M+Na]+	253.21380	165.5
[M-H]-	229.21730	159.4
[M+NH4]+	248.25840	179.7
[M+K]+	269.18774	163.2
[M+H-H2O]+	213.22184	156.1
[M+HCOO]-	275.22278	182.2
[M+CH3COO]-	289.23843	192.6
[M+Na-2H]-	251.19925	164.3
[M]+	230.22403	167.4
[M]-	230.22513	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe