CID 17994283

Ns00085624

Structural Information

Molecular Formula

C₁₄H₃₀O₂

SMILES

CCCCCCCCCCCCCC(O)O

InChI

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

InChIKey

CQTBQILMJBCTRS-UHFFFAOYSA-N

Compound name

tetradecane-1,1-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1786
Patents: 230.22458 Da
Monoisotopic Mass: 5.7
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	163.5
[M+Na]+	253.213798	166.3
[M-H]-	229.217304	159.4
[M+NH4]+	248.258403	180.2
[M+K]+	269.187738	163.5
[M+H-H2O]+	213.221840	157.8
[M+HCOO]-	275.222781	181.1
[M+CH3COO]-	289.238431	190.8
[M+Na-2H]-	251.199246	163.9
[M]+	230.22403142	166.2
[M]-	230.22512858	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe