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

3
Annotation Hits: 3
References: 7977
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]+	231.231856	162.5
[M+Na]+	253.213798	165.5
[M-H]-	229.217304	158.4
[M+NH4]+	248.258403	179.3
[M+K]+	269.187738	162.3
[M+H-H2O]+	213.221840	156.7
[M+HCOO]-	275.222781	181.1
[M+CH3COO]-	289.238431	190.0
[M+Na-2H]-	251.199246	164.2
[M]+	230.22403142	165.9
[M]-	230.22512858	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe