CID 22831446

122608-92-8

Structural Information

Molecular Formula

C₁₄H₂₈O₂

SMILES

CCCCCCCCCCCOC[C@H]1CO1

InChI

InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-15-12-14-13-16-14/h14H,2-13H2,1H3/t14-/m0/s1

InChIKey

HNJSJLKMMRCGKX-AWEZNQCLSA-N

Compound name

(2R)-2-(undecoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 228.20892 Da
Monoisotopic Mass: 4.8
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]+	229.216196	158.6
[M+Na]+	251.198138	164.6
[M-H]-	227.201644	162.5
[M+NH4]+	246.242743	171.0
[M+K]+	267.172078	163.1
[M+H-H2O]+	211.206180	151.2
[M+HCOO]-	273.207121	179.6
[M+CH3COO]-	287.222771	196.3
[M+Na-2H]-	249.183586	163.1
[M]+	228.20837142	167.3
[M]-	228.20946858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe