CID 3023840

1-(2,2-diethoxyethoxy)-4-(1,1-dimethylpropyl)benzene

Structural Information

Molecular Formula
C17H28O3
SMILES
CCC(C)(C)C1=CC=C(C=C1)OCC(OCC)OCC
InChI
InChI=1S/C17H28O3/c1-6-17(4,5)14-9-11-15(12-10-14)20-13-16(18-7-2)19-8-3/h9-12,16H,6-8,13H2,1-5H3
InChIKey
CFAFOHRNOPBXBY-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethoxy)-4-(2-methylbutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

280.20386 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.211136 170.3
[M+Na]+ 303.193078 175.3
[M-H]- 279.196584 173.1
[M+NH4]+ 298.237683 186.6
[M+K]+ 319.167018 174.0
[M+H-H2O]+ 263.201120 163.6
[M+HCOO]- 325.202061 190.3
[M+CH3COO]- 339.217711 203.8
[M+Na-2H]- 301.178526 173.1
[M]+ 280.20331142 176.8
[M]- 280.20440858 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe