CID 31431

Bicyclo(2.2.1)hept-2,5-ylene, bisallyl ether

Structural Information

Molecular Formula

C₁₃H₂₀O₂

SMILES

C=CCOC1CC2CC1CC2OCC=C

InChI

InChI=1S/C13H20O2/c1-3-5-14-12-8-11-7-10(12)9-13(11)15-6-4-2/h3-4,10-13H,1-2,5-9H2

InChIKey

NJODMNZNJKQZCB-UHFFFAOYSA-N

Compound name

2,5-bis(prop-2-enoxy)bicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 208.14633 Da
Monoisotopic Mass: 2.5
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]+	209.15361	151.8
[M+Na]+	231.13555	158.3
[M-H]-	207.13905	154.0
[M+NH4]+	226.18015	175.9
[M+K]+	247.10949	155.2
[M+H-H2O]+	191.14359	147.3
[M+HCOO]-	253.14453	172.4
[M+CH3COO]-	267.16018	188.2
[M+Na-2H]-	229.12100	152.7
[M]+	208.14578	153.1
[M]-	208.14688	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe