CID 61386563

[3-(4-benzylpiperidin-1-yl)propyl](ethyl)amine

Structural Information

Molecular Formula
C17H28N2
SMILES
CCNCCCN1CCC(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C17H28N2/c1-2-18-11-6-12-19-13-9-17(10-14-19)15-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKey
RFEDXRAWMNTZSX-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperidin-1-yl)-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.22525 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.23253 165.6
[M+Na]+ 283.21447 167.8
[M-H]- 259.21797 168.9
[M+NH4]+ 278.25907 180.3
[M+K]+ 299.18841 163.6
[M+H-H2O]+ 243.22251 156.4
[M+HCOO]- 305.22345 184.4
[M+CH3COO]- 319.23910 200.7
[M+Na-2H]- 281.19992 168.8
[M]+ 260.22470 161.6
[M]- 260.22580 161.6
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.