CID 12411803

1-(oxan-4-yl)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC(C1CCOCC1)O

InChI

InChI=1S/C7H14O2/c1-6(8)7-2-4-9-5-3-7/h6-8H,2-5H2,1H3

InChIKey

HNSFAXPMNOFMQI-UHFFFAOYSA-N

Compound name

1-(oxan-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 130.09938 Da
Monoisotopic Mass: 0.6
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]+	131.10666	127.9
[M+Na]+	153.08860	132.3
[M-H]-	129.09210	130.0
[M+NH4]+	148.13320	147.6
[M+K]+	169.06254	133.2
[M+H-H2O]+	113.09664	122.8
[M+HCOO]-	175.09758	145.8
[M+CH3COO]-	189.11323	168.5
[M+Na-2H]-	151.07405	133.4
[M]+	130.09883	123.7
[M]-	130.09993	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe