CID 17750944

4677-18-3

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

C1COCCC1CCO

InChI

InChI=1S/C7H14O2/c8-4-1-7-2-5-9-6-3-7/h7-8H,1-6H2

InChIKey

XZXZZACRGBBWTQ-UHFFFAOYSA-N

Compound name

2-(oxan-4-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 572
Patents: 130.09938 Da
Monoisotopic Mass: 0.5
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]+	131.106656	127.4
[M+Na]+	153.088598	132.1
[M-H]-	129.092104	129.4
[M+NH4]+	148.133203	147.2
[M+K]+	169.062538	132.5
[M+H-H2O]+	113.096640	122.2
[M+HCOO]-	175.097581	146.3
[M+CH3COO]-	189.113231	167.6
[M+Na-2H]-	151.074046	134.2
[M]+	130.09883142	123.9
[M]-	130.09992858	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe