CID 18604

1,2-epoxytetradecane

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CCCCCCCCCCCCC1CO1

InChI

InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3

InChIKey

IOHJQSFEAYDZGF-UHFFFAOYSA-N

Compound name

2-dodecyloxirane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 3109
Patents: 212.21402 Da
Monoisotopic Mass: 6.3
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]+	213.221296	154.8
[M+Na]+	235.203238	160.9
[M-H]-	211.206744	158.9
[M+NH4]+	230.247843	167.9
[M+K]+	251.177178	159.2
[M+H-H2O]+	195.211280	147.6
[M+HCOO]-	257.212221	175.7
[M+CH3COO]-	271.227871	194.5
[M+Na-2H]-	233.188686	159.5
[M]+	212.21347142	162.2
[M]-	212.21456858	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe