CID 105110

Schembl3002673

Structural Information

Molecular Formula

C₁₇H₂₃NO₂

SMILES

CC(C)CNCC(COC1=CC=CC2=CC=CC=C21)O

InChI

InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3

InChIKey

BBNJVDLLHMJGCV-UHFFFAOYSA-N

Compound name

1-(2-methylpropylamino)-3-naphthalen-1-yloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 273.17288 Da
Monoisotopic Mass: 3.5
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	166.0
[M+Na]+	296.162098	170.2
[M-H]-	272.165604	168.2
[M+NH4]+	291.206703	182.1
[M+K]+	312.136038	166.8
[M+H-H2O]+	256.170140	158.8
[M+HCOO]-	318.171081	185.7
[M+CH3COO]-	332.186731	202.1
[M+Na-2H]-	294.147546	169.9
[M]+	273.17233142	166.9
[M]-	273.17342858	166.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.