CID 3085515

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

Structural Information

Molecular Formula
C21H37NO2
SMILES
CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCCN(C)C
InChI
InChI=1S/C21H37NO2/c1-17-15-18(21(5,6)16-20(2,3)4)9-10-19(17)24-14-13-23-12-11-22(7)8/h9-10,15H,11-14,16H2,1-8H3
InChIKey
RJVBKWPFEURYNE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.28244 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.28972 187.7
[M+Na]+ 358.27166 192.1
[M-H]- 334.27516 191.9
[M+NH4]+ 353.31626 202.7
[M+K]+ 374.24560 190.8
[M+H-H2O]+ 318.27970 180.7
[M+HCOO]- 380.28064 207.1
[M+CH3COO]- 394.29629 222.3
[M+Na-2H]- 356.25711 189.6
[M]+ 335.28189 195.2
[M]- 335.28299 195.2
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

No patent data available for this compound.