CID 213756

Brn 2446142

Structural Information

Molecular Formula

C₁₆H₂₇NO

SMILES

CC(C)N(CCOCCC1=CC=CC=C1)C(C)C

InChI

InChI=1S/C16H27NO/c1-14(2)17(15(3)4)11-13-18-12-10-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3

InChIKey

MZZWEEWPHCZUCE-UHFFFAOYSA-N

Compound name

N-[2-(2-phenylethoxy)ethyl]-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.20926 Da
Monoisotopic Mass: 3.7
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]+	250.21654	165.0
[M+Na]+	272.19848	168.1
[M-H]-	248.20198	168.7
[M+NH4]+	267.24308	182.4
[M+K]+	288.17242	167.3
[M+H-H2O]+	232.20652	157.4
[M+HCOO]-	294.20746	186.9
[M+CH3COO]-	308.22311	204.5
[M+Na-2H]-	270.18393	166.3
[M]+	249.20871	168.1
[M]-	249.20981	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe