CID 224844

1-ethoxycyclohexene

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CCOC1=CCCCC1

InChI

InChI=1S/C8H14O/c1-2-9-8-6-4-3-5-7-8/h6H,2-5,7H2,1H3

InChIKey

ILZVJFHNPUWKQQ-UHFFFAOYSA-N

Compound name

1-ethoxycyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 430
Patents: 126.10446 Da
Monoisotopic Mass: 2.3
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]+	127.11174	126.4
[M+Na]+	149.09368	138.4
[M+NH4]+	144.13828	136.2
[M+K]+	165.06762	131.4
[M-H]-	125.09718	129.1
[M+Na-2H]-	147.07913	133.3
[M]+	126.10391	128.9
[M]-	126.10501	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe