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

42
Patents

280.20386 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.21114 170.3
[M+Na]+ 303.19308 175.3
[M-H]- 279.19658 173.1
[M+NH4]+ 298.23768 186.6
[M+K]+ 319.16702 174.0
[M+H-H2O]+ 263.20112 163.6
[M+HCOO]- 325.20206 190.3
[M+CH3COO]- 339.21771 203.8
[M+Na-2H]- 301.17853 173.1
[M]+ 280.20331 176.8
[M]- 280.20441 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