CID 3051139

Phenethylamine, n-ethyl-n-(4-hydroxybutyl)-, acetate (ester)

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCN(CCCCOC(=O)C)CCC1=CC=CC=C1
InChI
InChI=1S/C16H25NO2/c1-3-17(12-7-8-14-19-15(2)18)13-11-16-9-5-4-6-10-16/h4-6,9-10H,3,7-8,11-14H2,1-2H3
InChIKey
LGQQBNZMYAMVHC-UHFFFAOYSA-N
Compound name
4-[ethyl(2-phenylethyl)amino]butyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 166.6
[M+Na]+ 286.17776 170.3
[M-H]- 262.18126 170.3
[M+NH4]+ 281.22236 183.4
[M+K]+ 302.15170 168.9
[M+H-H2O]+ 246.18580 158.7
[M+HCOO]- 308.18674 190.0
[M+CH3COO]- 322.20239 204.1
[M+Na-2H]- 284.16321 169.2
[M]+ 263.18799 171.0
[M]- 263.18909 171.0
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.