CID 56080

2-methylene-1,3-dioxepane

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C=C1OCCCCO1

InChI

InChI=1S/C6H10O2/c1-6-7-4-2-3-5-8-6/h1-5H2

InChIKey

AVUFZLGLMCACRE-UHFFFAOYSA-N

Compound name

2-methylidene-1,3-dioxepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 783
Patents: 114.06808 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]+	115.07536	114.7
[M+Na]+	137.05730	118.5
[M-H]-	113.06080	119.9
[M+NH4]+	132.10190	133.0
[M+K]+	153.03124	124.2
[M+H-H2O]+	97.065340	110.5
[M+HCOO]-	159.06628	133.9
[M+CH3COO]-	173.08193	169.3
[M+Na-2H]-	135.04275	123.4
[M]+	114.06753	109.5
[M]-	114.06863	109.5

Literature stripe

literature stripe

Patent stripe

patents stripe