CID 71544

68345-22-2

Structural Information

Molecular Formula

C₁₆H₂₆O₂

SMILES

CC(C)COC(CC1=CC=CC=C1)OCC(C)C

InChI

InChI=1S/C16H26O2/c1-13(2)11-17-16(18-12-14(3)4)10-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3

InChIKey

IORFKGJOBOCHPX-UHFFFAOYSA-N

Compound name

2,2-bis(2-methylpropoxy)ethylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 153
Patents: 250.19328 Da
Monoisotopic Mass: 4.7
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]+	251.20056	162.3
[M+Na]+	273.18250	172.9
[M+NH4]+	268.22710	169.9
[M+K]+	289.15644	166.6
[M-H]-	249.18600	163.8
[M+Na-2H]-	271.16795	167.3
[M]+	250.19273	164.2
[M]-	250.19383	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe