CID 214151

27779-21-1

Structural Information

Molecular Formula
C16H26FNO
SMILES
CCC(C)C(CN(C)C)C1=CC(=C(C=C1)OCC)F
InChI
InChI=1S/C16H26FNO/c1-6-12(3)14(11-18(4)5)13-8-9-16(19-7-2)15(17)10-13/h8-10,12,14H,6-7,11H2,1-5H3
InChIKey
ITYOSSYGTWUQNH-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-3-fluorophenyl)-N,N,3-trimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.19983 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.20711 166.7
[M+Na]+ 290.18905 176.7
[M+NH4]+ 285.23365 173.8
[M+K]+ 306.16299 170.4
[M-H]- 266.19255 168.0
[M+Na-2H]- 288.17450 171.0
[M]+ 267.19928 168.3
[M]- 267.20038 168.3
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.