CID 116742

71084-07-6

Structural Information

Molecular Formula

C₁₇H₃₀O₂

SMILES

C#CCCCCCCCCCCOC1CCCCO1

InChI

InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h1,17H,3-16H2

InChIKey

OFKZWVVQWWNQOU-UHFFFAOYSA-N

Compound name

2-dodec-11-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 266.22458 Da
Monoisotopic Mass: 5.5
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]+	267.23186	160.1
[M+Na]+	289.21380	164.8
[M-H]-	265.21730	160.7
[M+NH4]+	284.25840	173.5
[M+K]+	305.18774	161.2
[M+H-H2O]+	249.22184	147.2
[M+HCOO]-	311.22278	172.5
[M+CH3COO]-	325.23843	205.1
[M+Na-2H]-	287.19925	162.3
[M]+	266.22403	156.3
[M]-	266.22513	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe