CID 84064047

73504-80-0

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC(C1CCCCO1)O

InChI

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

InChIKey

JSTOTKFHZZYCBV-UHFFFAOYSA-N

Compound name

1-(oxan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 130.09938 Da
Monoisotopic Mass: 0.7
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]+	131.10666	127.4
[M+Na]+	153.08860	137.6
[M+NH4]+	148.13320	136.1
[M+K]+	169.06254	133.0
[M-H]-	129.09210	130.0
[M+Na-2H]-	151.07405	131.7
[M]+	130.09883	129.4
[M]-	130.09993	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe