CID 79514

Ethanamine, n,n-dimethyl-2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)-

Structural Information

Molecular Formula
C20H35NO2
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCN(C)C
InChI
InChI=1S/C20H35NO2/c1-19(2,3)16-20(4,5)17-8-10-18(11-9-17)23-15-14-22-13-12-21(6)7/h8-11H,12-16H2,1-7H3
InChIKey
YVXDVQJWLGIVOL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

321.26678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27406 184.0
[M+Na]+ 344.25600 187.8
[M-H]- 320.25950 188.0
[M+NH4]+ 339.30060 199.2
[M+K]+ 360.22994 186.7
[M+H-H2O]+ 304.26404 176.9
[M+HCOO]- 366.26498 203.7
[M+CH3COO]- 380.28063 218.1
[M+Na-2H]- 342.24145 186.9
[M]+ 321.26623 190.7
[M]- 321.26733 190.7
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