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

21
Patents

321.26678 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.274056 184.0
[M+Na]+ 344.255998 187.8
[M-H]- 320.259504 188.0
[M+NH4]+ 339.300603 199.2
[M+K]+ 360.229938 186.7
[M+H-H2O]+ 304.264040 176.9
[M+HCOO]- 366.264981 203.7
[M+CH3COO]- 380.280631 218.1
[M+Na-2H]- 342.241446 186.9
[M]+ 321.26623142 190.7
[M]- 321.26732858 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