CID 105244

Diisobutylcresoxyethoxyethyldimethylamine

Structural Information

Molecular Formula
C21H37NO2
SMILES
CC1=CC(=CC(=C1OCCOCCN(C)C)CC(C)C)CC(C)C
InChI
InChI=1S/C21H37NO2/c1-16(2)12-19-14-18(5)21(20(15-19)13-17(3)4)24-11-10-23-9-8-22(6)7/h14-17H,8-13H2,1-7H3
InChIKey
YIKKNNXQZVPHPY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-[2-methyl-4,6-bis(2-methylpropyl)phenoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

335.28244 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.28972 189.1
[M+Na]+ 358.27166 192.8
[M-H]- 334.27516 193.0
[M+NH4]+ 353.31626 203.8
[M+K]+ 374.24560 191.5
[M+H-H2O]+ 318.27970 181.2
[M+HCOO]- 380.28064 209.5
[M+CH3COO]- 394.29629 224.9
[M+Na-2H]- 356.25711 185.8
[M]+ 335.28189 196.6
[M]- 335.28299 196.6
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.