CID 5364291

Cis-3-hexenal diethyl acetal

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC/C=C\CC(OCC)OCC

InChI

InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-

InChIKey

IOBHVJHSBREPFR-FPLPWBNLSA-N

Compound name

(Z)-1,1-diethoxyhex-3-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 195
Patents: 172.14633 Da
Monoisotopic Mass: 2.6
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]+	173.15361	141.5
[M+Na]+	195.13555	151.1
[M+NH4]+	190.18015	148.7
[M+K]+	211.10949	144.9
[M-H]-	171.13905	140.5
[M+Na-2H]-	193.12100	144.2
[M]+	172.14578	142.3
[M]-	172.14688	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe