CID 3021738

72727-72-1

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCC=CCCOC1CCCCO1

InChI

InChI=1S/C11H20O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-4,11H,2,5-10H2,1H3

InChIKey

SHZPEANSFIKVFI-UHFFFAOYSA-N

Compound name

2-hex-3-enoxyoxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 184.14633 Da
Monoisotopic Mass: 2.7
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]+	185.15361	144.0
[M+Na]+	207.13555	147.8
[M-H]-	183.13905	146.8
[M+NH4]+	202.18015	162.4
[M+K]+	223.10949	147.5
[M+H-H2O]+	167.14359	137.9
[M+HCOO]-	229.14453	163.3
[M+CH3COO]-	243.16018	180.9
[M+Na-2H]-	205.12100	149.2
[M]+	184.14578	143.1
[M]-	184.14688	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe