CID 22717736

Cyclododecane, (1-ethoxyethoxy)-

Structural Information

Molecular Formula

C₁₆H₃₂O₂

SMILES

CCOC(C)OC1CCCCCCCCCCC1

InChI

InChI=1S/C16H32O2/c1-3-17-15(2)18-16-13-11-9-7-5-4-6-8-10-12-14-16/h15-16H,3-14H2,1-2H3

InChIKey

CNANHJLQJZEVPS-UHFFFAOYSA-N

Compound name

1-ethoxyethoxycyclododecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 528
Patents: 256.24023 Da
Monoisotopic Mass: 5.9
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]+	257.247506	164.8
[M+Na]+	279.229448	164.7
[M-H]-	255.232954	163.9
[M+NH4]+	274.274053	178.3
[M+K]+	295.203388	164.6
[M+H-H2O]+	239.237490	161.1
[M+HCOO]-	301.238431	179.4
[M+CH3COO]-	315.254081	190.6
[M+Na-2H]-	277.214896	163.6
[M]+	256.23968142	156.8
[M]-	256.24077858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe