CID 118084

2-pentene, 1,1-diethoxy-

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

CCC=CC(OCC)OCC

InChI

InChI=1S/C9H18O2/c1-4-7-8-9(10-5-2)11-6-3/h7-9H,4-6H2,1-3H3

InChIKey

LMEVRZONMYHVAF-UHFFFAOYSA-N

Compound name

1,1-diethoxypent-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 158.13068 Da
Monoisotopic Mass: 2.1
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]+	159.13796	137.1
[M+Na]+	181.11990	146.9
[M+NH4]+	176.16450	144.5
[M+K]+	197.09384	140.9
[M-H]-	157.12340	136.2
[M+Na-2H]-	179.10535	140.1
[M]+	158.13013	138.0
[M]-	158.13123	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe