CID 105246

Diisobutylphenoxyethoxyethyldimethylamine

Structural Information

Molecular Formula
C20H35NO2
SMILES
CC(C)CC1=CC(=C(C=C1)OCCOCCN(C)C)CC(C)C
InChI
InChI=1S/C20H35NO2/c1-16(2)13-18-7-8-20(19(15-18)14-17(3)4)23-12-11-22-10-9-21(5)6/h7-8,15-17H,9-14H2,1-6H3
InChIKey
GWMJRNLPIQUVPS-UHFFFAOYSA-N
Compound name
2-[2-[2,4-bis(2-methylpropyl)phenoxy]ethoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

321.26678 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27406 185.4
[M+Na]+ 344.25600 188.6
[M-H]- 320.25950 189.1
[M+NH4]+ 339.30060 200.4
[M+K]+ 360.22994 187.4
[M+H-H2O]+ 304.26404 177.3
[M+HCOO]- 366.26498 206.1
[M+CH3COO]- 380.28063 220.7
[M+Na-2H]- 342.24145 183.2
[M]+ 321.26623 192.2
[M]- 321.26733 192.2
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