CID 27010

2,2,5,5-tetramethyltetrahydrofuran

Structural Information

Molecular Formula

C₈H₁₆O

SMILES

CC1(CCC(O1)(C)C)C

InChI

InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3

InChIKey

BBLDTXFLAHKYFJ-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethyloxolane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 954
Patents: 128.12012 Da
Monoisotopic Mass: 2.1
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]+	129.127396	123.6
[M+Na]+	151.109338	132.1
[M-H]-	127.112844	128.3
[M+NH4]+	146.153943	150.5
[M+K]+	167.083278	133.0
[M+H-H2O]+	111.117380	120.9
[M+HCOO]-	173.118321	145.6
[M+CH3COO]-	187.133971	171.7
[M+Na-2H]-	149.094786	131.2
[M]+	128.11957142	124.0
[M]-	128.12066858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe