CID 3085984

N-phenyl-n-ethylethanolamine, octyl ether

Structural Information

Molecular Formula
C18H31NO
SMILES
CCCCCCCCOCCN(CC)C1=CC=CC=C1
InChI
InChI=1S/C18H31NO/c1-3-5-6-7-8-12-16-20-17-15-19(4-2)18-13-10-9-11-14-18/h9-11,13-14H,3-8,12,15-17H2,1-2H3
InChIKey
KLDTULUDWPDSIL-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-octoxyethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.24057 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.24785 173.2
[M+Na]+ 300.22979 175.9
[M-H]- 276.23329 176.3
[M+NH4]+ 295.27439 189.5
[M+K]+ 316.20373 173.6
[M+H-H2O]+ 260.23783 164.9
[M+HCOO]- 322.23877 196.4
[M+CH3COO]- 336.25442 208.8
[M+Na-2H]- 298.21524 175.9
[M]+ 277.24002 178.3
[M]- 277.24112 178.3
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.