CID 105765

Propoxycyclododecane

Structural Information

Molecular Formula

C₁₅H₃₀O

SMILES

CCCOC1CCCCCCCCCCC1

InChI

InChI=1S/C15H30O/c1-2-14-16-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3

InChIKey

DZWPQZGRFUZEDL-UHFFFAOYSA-N

Compound name

propoxycyclododecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 226.22966 Da
Monoisotopic Mass: 6.0
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]+	227.23694	156.9
[M+Na]+	249.21888	157.4
[M-H]-	225.22238	156.1
[M+NH4]+	244.26348	171.7
[M+K]+	265.19282	156.7
[M+H-H2O]+	209.22692	153.4
[M+HCOO]-	271.22786	172.6
[M+CH3COO]-	285.24351	184.9
[M+Na-2H]-	247.20433	157.3
[M]+	226.22911	147.7
[M]-	226.23021	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe