CID 113450

(2,2-bis((3-methyl-2-butenyl)oxy)ethyl)benzene

Structural Information

Molecular Formula

C₁₈H₂₆O₂

SMILES

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

InChI

InChI=1S/C18H26O2/c1-15(2)10-12-19-18(20-13-11-16(3)4)14-17-8-6-5-7-9-17/h5-11,18H,12-14H2,1-4H3

InChIKey

ZWVXIAOGGVPPSN-UHFFFAOYSA-N

Compound name

2,2-bis(3-methylbut-2-enoxy)ethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.19327 Da
Monoisotopic Mass: 5.0
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]+	275.200546	170.8
[M+Na]+	297.182488	174.3
[M-H]-	273.185994	173.0
[M+NH4]+	292.227093	186.7
[M+K]+	313.156428	171.4
[M+H-H2O]+	257.190530	163.6
[M+HCOO]-	319.191471	190.2
[M+CH3COO]-	333.207121	201.9
[M+Na-2H]-	295.167936	170.3
[M]+	274.19272142	173.4
[M]-	274.19381858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe