CID 165753

3-(hexadecyloxy)propan-1-ol

Structural Information

Molecular Formula

C₁₉H₄₀O₂

SMILES

CCCCCCCCCCCCCCCCOCCCO

InChI

InChI=1S/C19H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h20H,2-19H2,1H3

InChIKey

YDCSFYSJEYSCBP-UHFFFAOYSA-N

Compound name

3-hexadecoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 508
Patents: 300.30283 Da
Monoisotopic Mass: 7.5
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]+	301.31011	184.4
[M+Na]+	323.29205	185.7
[M-H]-	299.29555	180.7
[M+NH4]+	318.33665	199.1
[M+K]+	339.26599	182.1
[M+H-H2O]+	283.30009	177.4
[M+HCOO]-	345.30103	202.8
[M+CH3COO]-	359.31668	207.6
[M+Na-2H]-	321.27750	184.0
[M]+	300.30228	191.6
[M]-	300.30338	191.6

Literature stripe

literature stripe

Patent stripe

patents stripe