CID 88261

1,14-tetradecanediol

Structural Information

Molecular Formula

C₁₄H₃₀O₂

SMILES

C(CCCCCCCO)CCCCCCO

InChI

InChI=1S/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2

InChIKey

XLKZJJVNBQCVIX-UHFFFAOYSA-N

Compound name

tetradecane-1,14-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 7923
Patents: 230.22458 Da
Monoisotopic Mass: 4.6
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]+	231.23186	162.5
[M+Na]+	253.21380	165.5
[M-H]-	229.21730	158.4
[M+NH4]+	248.25840	179.3
[M+K]+	269.18774	162.3
[M+H-H2O]+	213.22184	156.7
[M+HCOO]-	275.22278	181.1
[M+CH3COO]-	289.23843	190.0
[M+Na-2H]-	251.19925	164.2
[M]+	230.22403	165.9
[M]-	230.22513	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe