CID 58563

2-(2-piperidinoethyl)-1-tetralone

Structural Information

Molecular Formula
C17H23NO
SMILES
C1CCN(CC1)CCC2CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H23NO/c19-17-15(10-13-18-11-4-1-5-12-18)9-8-14-6-2-3-7-16(14)17/h2-3,6-7,15H,1,4-5,8-13H2
InChIKey
OLYOMTHVPHBVSF-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 162.0
[M+Na]+ 280.16720 165.6
[M-H]- 256.17070 166.2
[M+NH4]+ 275.21180 177.9
[M+K]+ 296.14114 160.9
[M+H-H2O]+ 240.17524 153.0
[M+HCOO]- 302.17618 176.9
[M+CH3COO]- 316.19183 171.6
[M+Na-2H]- 278.15265 164.9
[M]+ 257.17743 155.4
[M]- 257.17853 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.