CID 20830

4706-74-5

Structural Information

Molecular Formula

C₁₆H₂₁NO

SMILES

C1CCN(CC1)CC2CCC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H21NO/c18-16-14(12-17-10-4-1-5-11-17)9-8-13-6-2-3-7-15(13)16/h2-3,6-7,14H,1,4-5,8-12H2

InChIKey

UYBXDDGLSMPWAN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 243.16231 Da
Monoisotopic Mass: 2.9
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]+	244.169586	157.5
[M+Na]+	266.151528	161.5
[M-H]-	242.155034	161.9
[M+NH4]+	261.196133	173.9
[M+K]+	282.125468	157.1
[M+H-H2O]+	226.159570	148.7
[M+HCOO]-	288.160511	172.7
[M+CH3COO]-	302.176161	167.5
[M+Na-2H]-	264.136976	161.0
[M]+	243.16176142	150.6
[M]-	243.16285858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe