CID 5369371

18492-65-4

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CC/C=C\CCC(OCC)OCC

InChI

InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7-

InChIKey

BOALWZNGHWYCRG-FPLPWBNLSA-N

Compound name

(Z)-7,7-diethoxyhept-3-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 56
Patents: 186.16199 Da
Monoisotopic Mass: 3.0
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]+	187.16927	145.9
[M+Na]+	209.15121	155.3
[M+NH4]+	204.19581	153.0
[M+K]+	225.12515	148.9
[M-H]-	185.15471	144.9
[M+Na-2H]-	207.13666	148.4
[M]+	186.16144	146.7
[M]-	186.16254	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe