CID 23872

1,2-epoxyoctadecane

Structural Information

Molecular Formula

C₁₈H₃₆O

SMILES

CCCCCCCCCCCCCCCCC1CO1

InChI

InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3

InChIKey

QBJWYMFTMJFGOL-UHFFFAOYSA-N

Compound name

2-hexadecyloxirane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 6051
Patents: 268.2766 Da
Monoisotopic Mass: 8.4
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]+	269.28388	171.6
[M+Na]+	291.26582	176.1
[M-H]-	267.26932	174.9
[M+NH4]+	286.31042	182.6
[M+K]+	307.23976	173.4
[M+H-H2O]+	251.27386	163.7
[M+HCOO]-	313.27480	191.3
[M+CH3COO]-	327.29045	206.0
[M+Na-2H]-	289.25127	174.2
[M]+	268.27605	180.4
[M]-	268.27715	180.4

Literature stripe

literature stripe

Patent stripe

patents stripe