CID 20856

Dianisylneopentane

Structural Information

Molecular Formula

C₁₉H₂₄O₂

SMILES

CC(C)(C)C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H24O2/c1-19(2,3)18(14-6-10-16(20-4)11-7-14)15-8-12-17(21-5)13-9-15/h6-13,18H,1-5H3

InChIKey

ISCNHUDJLJIUKB-UHFFFAOYSA-N

Compound name

1-methoxy-4-[1-(4-methoxyphenyl)-2,2-dimethylpropyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 284.17764 Da
Monoisotopic Mass: 5.7
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]+	285.184916	168.9
[M+Na]+	307.166858	175.4
[M-H]-	283.170364	175.6
[M+NH4]+	302.211463	185.0
[M+K]+	323.140798	172.6
[M+H-H2O]+	267.174900	161.5
[M+HCOO]-	329.175841	189.5
[M+CH3COO]-	343.191491	203.9
[M+Na-2H]-	305.152306	172.4
[M]+	284.17709142	172.3
[M]-	284.17818858	172.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe