CID 62913

2,5-diethyltetrahydrofuran

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CCC1CCC(O1)CC

InChI

InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3

InChIKey

YKWLEIXVUHRKEF-UHFFFAOYSA-N

Compound name

2,5-diethyloxolane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 0
References: 262
Patents: 128.12012 Da
Monoisotopic Mass: 2.5
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]+	129.127396	128.2
[M+Na]+	151.109338	134.9
[M-H]-	127.112844	132.1
[M+NH4]+	146.153943	151.1
[M+K]+	167.083278	135.4
[M+H-H2O]+	111.117380	123.6
[M+HCOO]-	173.118321	150.2
[M+CH3COO]-	187.133971	172.3
[M+Na-2H]-	149.094786	133.1
[M]+	128.11957142	128.0
[M]-	128.12066858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe