CID 56642

2-piperidinomethyl-3-methyl-1-tetralone hydrochloride

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1CC2=CC=CC=C2C(=O)C1CN3CCCCC3
InChI
InChI=1S/C17H23NO/c1-13-11-14-7-3-4-8-15(14)17(19)16(13)12-18-9-5-2-6-10-18/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3
InChIKey
DLZQUWOLFQBJIU-UHFFFAOYSA-N
Compound name
3-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 162.1
[M+Na]+ 280.167198 166.6
[M-H]- 256.170704 166.8
[M+NH4]+ 275.211803 178.4
[M+K]+ 296.141138 162.1
[M+H-H2O]+ 240.175240 153.4
[M+HCOO]- 302.176181 177.0
[M+CH3COO]- 316.191831 172.1
[M+Na-2H]- 278.152646 164.3
[M]+ 257.17743142 156.0
[M]- 257.17852858 156.0
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.