CID 12395962

2,2-dimethyloxane

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

CC1(CCCCO1)C

InChI

InChI=1S/C7H14O/c1-7(2)5-3-4-6-8-7/h3-6H2,1-2H3

InChIKey

SWZUJPXFLKZGLI-UHFFFAOYSA-N

Compound name

2,2-dimethyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1653
Patents: 114.10446 Da
Monoisotopic Mass: 1.5
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]+	115.111736	122.6
[M+Na]+	137.093678	128.7
[M-H]-	113.097184	126.6
[M+NH4]+	132.138283	145.9
[M+K]+	153.067618	129.9
[M+H-H2O]+	97.101720	118.3
[M+HCOO]-	159.102661	142.8
[M+CH3COO]-	173.118311	167.9
[M+Na-2H]-	135.079126	131.1
[M]+	114.10391142	119.8
[M]-	114.10500858	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe