CID 14103515

79802-60-1

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCC(C=C)OC1CCCCO1

InChI

InChI=1S/C10H18O2/c1-3-9(4-2)12-10-7-5-6-8-11-10/h3,9-10H,1,4-8H2,2H3

InChIKey

XEKRKGHMYGPZHY-UHFFFAOYSA-N

Compound name

2-pent-1-en-3-yloxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.13068 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]+	171.137956	139.7
[M+Na]+	193.119898	143.6
[M-H]-	169.123404	142.7
[M+NH4]+	188.164503	158.4
[M+K]+	209.093838	144.0
[M+H-H2O]+	153.127940	133.9
[M+HCOO]-	215.128881	158.3
[M+CH3COO]-	229.144531	179.4
[M+Na-2H]-	191.105346	144.1
[M]+	170.13013142	137.8
[M]-	170.13122858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe