CID 6455150

Oxirane, 2,2'-(1,10-decanediyl)bis-

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

C1C(O1)CCCCCCCCCCC2CO2

InChI

InChI=1S/C14H26O2/c1(3-5-7-9-13-11-15-13)2-4-6-8-10-14-12-16-14/h13-14H,1-12H2

InChIKey

GMOUFZQRQCICEI-UHFFFAOYSA-N

Compound name

2-[10-(oxiran-2-yl)decyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 195
Patents: 226.19328 Da
Monoisotopic Mass: 4.3
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]+	227.200556	162.5
[M+Na]+	249.182498	167.9
[M-H]-	225.186004	170.0
[M+NH4]+	244.227103	167.7
[M+K]+	265.156438	168.5
[M+H-H2O]+	209.190540	154.8
[M+HCOO]-	271.191481	179.9
[M+CH3COO]-	285.207131	202.9
[M+Na-2H]-	247.167946	166.3
[M]+	226.19273142	171.1
[M]-	226.19382858	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe