CID 2773573

14774-37-9

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

C1COCCC1CO

InChI

InChI=1S/C6H12O2/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2

InChIKey

YSNVSVCWTBLLRW-UHFFFAOYSA-N

Compound name

oxan-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2263
Patents: 116.08373 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]+	117.09101	122.7
[M+Na]+	139.07295	133.4
[M+NH4]+	134.11755	131.7
[M+K]+	155.04689	128.2
[M-H]-	115.07645	125.5
[M+Na-2H]-	137.05840	127.6
[M]+	116.08318	124.8
[M]-	116.08428	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe