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

5
Annotation Hits: 0
References: 47
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]+	187.169266	147.1
[M+Na]+	209.151208	152.4
[M-H]-	185.154714	146.6
[M+NH4]+	204.195813	167.1
[M+K]+	225.125148	151.7
[M+H-H2O]+	169.159250	141.7
[M+HCOO]-	231.160191	169.0
[M+CH3COO]-	245.175841	185.5
[M+Na-2H]-	207.136656	150.3
[M]+	186.16144142	151.8
[M]-	186.16253858	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe