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 166.4
[M+Na]+ 290.18905 171.5
[M-H]- 266.19255 169.5
[M+NH4]+ 285.23365 183.6
[M+K]+ 306.16299 170.3
[M+H-H2O]+ 250.19709 158.4
[M+HCOO]- 312.19803 187.2
[M+CH3COO]- 326.21368 209.5
[M+Na-2H]- 288.17450 165.8
[M]+ 267.19928 169.1
[M]- 267.20038 169.1
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.