CID 115835

64604-68-8

Structural Information

Molecular Formula

C₁₇H₃₀O₂

SMILES

CCCC#CCCCCCCCOC1CCCCO1

InChI

InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h17H,2-3,6-16H2,1H3

InChIKey

JXPUZAOSDJTBBV-UHFFFAOYSA-N

Compound name

2-dodec-8-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.22458 Da
Monoisotopic Mass: 5.3
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]+	267.23186	167.6
[M+Na]+	289.21380	176.9
[M+NH4]+	284.25840	171.5
[M+K]+	305.18774	166.2
[M-H]-	265.21730	162.1
[M+Na-2H]-	287.19925	167.5
[M]+	266.22403	166.5
[M]-	266.22513	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.