CID 56640

2-methyl-2-piperidinomethyl-1-tetralone

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1(CCC2=CC=CC=C2C1=O)CN3CCCCC3
InChI
InChI=1S/C17H23NO/c1-17(13-18-11-5-2-6-12-18)10-9-14-7-3-4-8-15(14)16(17)19/h3-4,7-8H,2,5-6,9-13H2,1H3
InChIKey
QUSUPNBZLPHBFS-UHFFFAOYSA-N
Compound name
2-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 164.1
[M+Na]+ 280.16720 177.1
[M+NH4]+ 275.21180 175.1
[M+K]+ 296.14114 166.3
[M-H]- 256.17070 168.9
[M+Na-2H]- 278.15265 171.9
[M]+ 257.17743 167.5
[M]- 257.17853 167.5
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.