CID 78860

5-ethyl-1,3-dioxane-5-methanol

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCC1(COCOC1)CO

InChI

InChI=1S/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3

InChIKey

BGFBWRWYROQISE-UHFFFAOYSA-N

Compound name

(5-ethyl-1,3-dioxan-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 438
Patents: 146.0943 Da
Monoisotopic Mass: 0.1
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]+	147.10158	130.2
[M+Na]+	169.08352	140.7
[M+NH4]+	164.12812	139.7
[M+K]+	185.05746	134.5
[M-H]-	145.08702	133.7
[M+Na-2H]-	167.06897	135.5
[M]+	146.09375	132.7
[M]-	146.09485	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe