CID 3056651

Brn 5272684

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

C1CN2CCC1C(C2)NCC(COC3=CC=CC=C3)O

InChI

InChI=1S/C16H24N2O2/c19-14(12-20-15-4-2-1-3-5-15)10-17-16-11-18-8-6-13(16)7-9-18/h1-5,13-14,16-17,19H,6-12H2

InChIKey

YWSRPMTTXXPWTC-UHFFFAOYSA-N

Compound name

1-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 276.18378 Da
Monoisotopic Mass: 1.5
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]+	277.191056	160.2
[M+Na]+	299.172998	160.7
[M-H]-	275.176504	156.1
[M+NH4]+	294.217603	177.7
[M+K]+	315.146938	157.6
[M+H-H2O]+	259.181040	152.9
[M+HCOO]-	321.181981	169.1
[M+CH3COO]-	335.197631	167.5
[M+Na-2H]-	297.158446	169.8
[M]+	276.18323142	159.5
[M]-	276.18432858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe