CID 50938

N 642

Structural Information

Molecular Formula

C₁₇H₂₃NO

SMILES

CC1CC(C(=O)C2=CC=CC=C12)CN3CCCCC3

InChI

InChI=1S/C17H23NO/c1-13-11-14(12-18-9-5-2-6-10-18)17(19)16-8-4-3-7-15(13)16/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3

InChIKey

WLKKEGUCJMZHKU-UHFFFAOYSA-N

Compound name

4-methyl-2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.17798 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe