CID 3437285

17351-75-6

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

C=COCC1CCC(CC1)COC=C

InChI

InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2

InChIKey

DQNSRQYYCSXZDF-UHFFFAOYSA-N

Compound name

1,4-bis(ethenoxymethyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 4626
Patents: 196.14633 Da
Monoisotopic Mass: 3.1
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]+	197.15361	147.2
[M+Na]+	219.13555	157.4
[M+NH4]+	214.18015	155.1
[M+K]+	235.10949	150.1
[M-H]-	195.13905	148.5
[M+Na-2H]-	217.12100	151.1
[M]+	196.14578	148.7
[M]-	196.14688	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe