CID 86378

125904-18-9

Structural Information

Molecular Formula

C₂₂H₃₈O₂

SMILES

CCCCOC1=CC(=C(C=C1C(C)(C)C)OCCCC)C(C)(C)C

InChI

InChI=1S/C22H38O2/c1-9-11-13-23-19-15-18(22(6,7)8)20(24-14-12-10-2)16-17(19)21(3,4)5/h15-16H,9-14H2,1-8H3

InChIKey

OYMURBYTRMDBKX-UHFFFAOYSA-N

Compound name

1,4-dibutoxy-2,5-ditert-butylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 334.28717 Da
Monoisotopic Mass: 7.7
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]+	335.294446	187.8
[M+Na]+	357.276388	193.5
[M-H]-	333.279894	190.9
[M+NH4]+	352.320993	203.0
[M+K]+	373.250328	190.7
[M+H-H2O]+	317.284430	181.6
[M+HCOO]-	379.285371	205.4
[M+CH3COO]-	393.301021	217.5
[M+Na-2H]-	355.261836	188.9
[M]+	334.28662142	195.5
[M]-	334.28771858	195.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe