CID 103504

51652-45-0

Structural Information

Molecular Formula

C₁₅H₂₆O₂

SMILES

CCCCC#CCCCCOC1CCCCO1

InChI

InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-10-13-16-15-12-9-11-14-17-15/h15H,2-4,7-14H2,1H3

InChIKey

UCIRGAWKROSICQ-UHFFFAOYSA-N

Compound name

2-dec-5-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.19328 Da
Monoisotopic Mass: 4.3
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]+	239.20056	153.0
[M+Na]+	261.18250	158.6
[M-H]-	237.18600	154.0
[M+NH4]+	256.22710	167.6
[M+K]+	277.15644	155.4
[M+H-H2O]+	221.19054	140.5
[M+HCOO]-	283.19148	166.0
[M+CH3COO]-	297.20713	198.6
[M+Na-2H]-	259.16795	156.1
[M]+	238.19273	148.4
[M]-	238.19383	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.