CID 23811

N-671

Structural Information

Molecular Formula

C₁₅H₁₉NO₂

SMILES

C1CC2=CC=CC=C2C(=O)C1CN3CCOCC3

InChI

InChI=1S/C15H19NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-4,13H,5-11H2

InChIKey

ZSTAKEHYXGXVEV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 245.14159 Da
Monoisotopic Mass: 1.7
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]+	246.148866	156.1
[M+Na]+	268.130808	160.6
[M-H]-	244.134314	161.4
[M+NH4]+	263.175413	171.2
[M+K]+	284.104748	158.1
[M+H-H2O]+	228.138850	147.3
[M+HCOO]-	290.139791	171.0
[M+CH3COO]-	304.155441	166.6
[M+Na-2H]-	266.116256	160.9
[M]+	245.14104142	151.0
[M]-	245.14213858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe