CID 76333

Cyclododecyl isobutyl ether

Structural Information

Molecular Formula

C₁₆H₃₂O

SMILES

CC(C)COC1CCCCCCCCCCC1

InChI

InChI=1S/C16H32O/c1-15(2)14-17-16-12-10-8-6-4-3-5-7-9-11-13-16/h15-16H,3-14H2,1-2H3

InChIKey

ZKLBAFOZTKRQFK-UHFFFAOYSA-N

Compound name

2-methylpropoxycyclododecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.24532 Da
Monoisotopic Mass: 6.5
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]+	241.25260	161.5
[M+Na]+	263.23454	169.9
[M+NH4]+	258.27914	169.3
[M+K]+	279.20848	162.6
[M-H]-	239.23804	164.3
[M+Na-2H]-	261.21999	165.8
[M]+	240.24477	163.0
[M]-	240.24587	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.