CID 213810

27078-31-5

Structural Information

Molecular Formula
C18H31NO2
SMILES
CCCCOC1=CC=C(C=C1)CCOCCN(CC)CC
InChI
InChI=1S/C18H31NO2/c1-4-7-14-21-18-10-8-17(9-11-18)12-15-20-16-13-19(5-2)6-3/h8-11H,4-7,12-16H2,1-3H3
InChIKey
PLAZAZSYDFEYMV-UHFFFAOYSA-N
Compound name
2-[2-(4-butoxyphenyl)ethoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.23547 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 176.0
[M+Na]+ 316.22469 179.6
[M-H]- 292.22819 179.5
[M+NH4]+ 311.26929 191.9
[M+K]+ 332.19863 177.8
[M+H-H2O]+ 276.23273 167.7
[M+HCOO]- 338.23367 199.4
[M+CH3COO]- 352.24932 211.9
[M+Na-2H]- 314.21014 178.0
[M]+ 293.23492 182.9
[M]- 293.23602 182.9
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.