CID 41961

56666-38-7

Structural Information

Molecular Formula

C₂₀H₃₆O₂

SMILES

CCC#CCCCCCCCCCCCOC1CCCCO1

InChI

InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-20-17-14-16-19-22-20/h20H,2,5-19H2,1H3

InChIKey

FPZIWAZYWJJTIZ-UHFFFAOYSA-N

Compound name

2-pentadec-12-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 308.27155 Da
Monoisotopic Mass: 7.0
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]+	309.278826	172.4
[M+Na]+	331.260768	176.1
[M-H]-	307.264274	172.6
[M+NH4]+	326.305373	184.4
[M+K]+	347.234708	171.8
[M+H-H2O]+	291.268810	159.1
[M+HCOO]-	353.269751	184.0
[M+CH3COO]-	367.285401	212.0
[M+Na-2H]-	329.246216	173.2
[M]+	308.27100142	169.4
[M]-	308.27209858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe