CID 53436565

2-(2-dodecen-1-yl)oxirane

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

CCCCCCCCCC=CCC1CO1

InChI

InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h10-11,14H,2-9,12-13H2,1H3

InChIKey

QNRDSEBPIRXMOA-UHFFFAOYSA-N

Compound name

2-dodec-2-enyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.19836 Da
Monoisotopic Mass: 5.5
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]+	211.205636	153.9
[M+Na]+	233.187578	160.4
[M-H]-	209.191084	158.1
[M+NH4]+	228.232183	167.1
[M+K]+	249.161518	158.1
[M+H-H2O]+	193.195620	146.8
[M+HCOO]-	255.196561	175.1
[M+CH3COO]-	269.212211	193.1
[M+Na-2H]-	231.173026	158.6
[M]+	210.19781142	160.6
[M]-	210.19890858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.