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]+ 258.18526 162.9
[M+Na]+ 280.16720 176.2
[M+NH4]+ 275.21180 172.5
[M+K]+ 296.14114 167.4
[M-H]- 256.17070 167.8
[M+Na-2H]- 278.15265 169.2
[M]+ 257.17743 166.2
[M]- 257.17853 166.2
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.