CID 4166833

2-(oxan-2-yloxy)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

C1CCOC(C1)OCCO

InChI

InChI=1S/C7H14O3/c8-4-6-10-7-3-1-2-5-9-7/h7-8H,1-6H2

InChIKey

XDBZJXRPEKFIFR-UHFFFAOYSA-N

Compound name

2-(oxan-2-yloxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1131
Patents: 146.0943 Da
Monoisotopic Mass: 0.3
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]+	147.101576	130.2
[M+Na]+	169.083518	134.8
[M-H]-	145.087024	132.2
[M+NH4]+	164.128123	149.2
[M+K]+	185.057458	135.7
[M+H-H2O]+	129.091560	124.8
[M+HCOO]-	191.092501	149.3
[M+CH3COO]-	205.108151	169.7
[M+Na-2H]-	167.068966	137.0
[M]+	146.09375142	128.1
[M]-	146.09484858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe