CID 543423

1,2-15,16-diepoxyhexadecane

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

C1C(O1)CCCCCCCCCCCCC2CO2

InChI

InChI=1S/C16H30O2/c1(3-5-7-9-11-15-13-17-15)2-4-6-8-10-12-16-14-18-16/h15-16H,1-14H2

InChIKey

KHOGZDMZNQXOFX-UHFFFAOYSA-N

Compound name

2-[12-(oxiran-2-yl)dodecyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 254.22458 Da
Monoisotopic Mass: 5.4
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]+	255.231856	169.5
[M+Na]+	277.213798	174.1
[M-H]-	253.217304	176.7
[M+NH4]+	272.258403	173.8
[M+K]+	293.187738	174.3
[M+H-H2O]+	237.221840	161.5
[M+HCOO]-	299.222781	186.4
[M+CH3COO]-	313.238431	207.8
[M+Na-2H]-	275.199246	172.4
[M]+	254.22403142	178.7
[M]-	254.22512858	178.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe