CID 103566

51953-88-9

Structural Information

Molecular Formula

C₁₆H₂₈O₂

SMILES

C#CCCCCCCCCCOC1CCCCO1

InChI

InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-11-14-17-16-13-10-12-15-18-16/h1,16H,3-15H2

InChIKey

BIMMDYMGQQYTCS-UHFFFAOYSA-N

Compound name

2-undec-10-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 252.20892 Da
Monoisotopic Mass: 4.9
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]+	253.21620	163.3
[M+Na]+	275.19814	172.8
[M+NH4]+	270.24274	167.3
[M+K]+	291.17208	162.3
[M-H]-	251.20164	157.9
[M+Na-2H]-	273.18359	163.5
[M]+	252.20837	162.2
[M]-	252.20947	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe