CID 294549

Ether, dodecyl phenyl

Structural Information

Molecular Formula

C₁₈H₃₀O

SMILES

CCCCCCCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3

InChIKey

CRBREIOFEDVXGE-UHFFFAOYSA-N

Compound name

dodecoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2424
Patents: 262.22968 Da
Monoisotopic Mass: 7.6
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]+	263.23696	168.3
[M+Na]+	285.21890	180.0
[M+NH4]+	280.26350	176.5
[M+K]+	301.19284	170.2
[M-H]-	261.22240	170.9
[M+Na-2H]-	283.20435	174.3
[M]+	262.22913	170.7
[M]-	262.23023	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe