CID 36396

Na-143

Structural Information

Molecular Formula

C₁₇H₂₃NO₂

SMILES

COC1=CC2=C(C=C1)C(=O)C(CC2)CN3CCCCC3

InChI

InChI=1S/C17H23NO2/c1-20-15-7-8-16-13(11-15)5-6-14(17(16)19)12-18-9-3-2-4-10-18/h7-8,11,14H,2-6,9-10,12H2,1H3

InChIKey

IAIPCBDGCXSCGJ-UHFFFAOYSA-N

Compound name

6-methoxy-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: 273.17288 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]+	274.180156	165.3
[M+Na]+	296.162098	169.7
[M-H]-	272.165604	169.9
[M+NH4]+	291.206703	180.8
[M+K]+	312.136038	165.7
[M+H-H2O]+	256.170140	156.3
[M+HCOO]-	318.171081	180.3
[M+CH3COO]-	332.186731	199.8
[M+Na-2H]-	294.147546	167.6
[M]+	273.17233142	160.6
[M]-	273.17342858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe