CID 116741

71084-06-5

Structural Information

Molecular Formula

C₁₉H₃₄O₂

SMILES

CCC#CCCCCCCCCCCOC1CCCCO1

InChI

InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h19H,2,5-18H2,1H3

InChIKey

QPBHDSXBIQFNFW-UHFFFAOYSA-N

Compound name

2-tetradec-11-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 294.2559 Da
Monoisotopic Mass: 6.4
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]+	295.26318	168.5
[M+Na]+	317.24512	172.6
[M-H]-	293.24862	168.9
[M+NH4]+	312.28972	181.1
[M+K]+	333.21906	168.5
[M+H-H2O]+	277.25316	155.4
[M+HCOO]-	339.25410	180.4
[M+CH3COO]-	353.26975	209.3
[M+Na-2H]-	315.23057	169.8
[M]+	294.25535	165.3
[M]-	294.25645	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe