CID 446308

1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(1,1,3,3-tetramethylbutyl)benzene

Structural Information

Molecular Formula
C21H36O4
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCOC
InChI
InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
InChIKey
HEUDUECKTWTQQR-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2,4,4-trimethylpentan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

352.26135 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.268626 191.7
[M+Na]+ 375.250568 195.5
[M-H]- 351.254074 194.0
[M+NH4]+ 370.295173 205.1
[M+K]+ 391.224508 194.0
[M+H-H2O]+ 335.258610 184.5
[M+HCOO]- 397.259551 209.9
[M+CH3COO]- 411.275201 216.7
[M+Na-2H]- 373.236016 194.7
[M]+ 352.26080142 201.1
[M]- 352.26189858 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe