CID 3042674

Rap 409

Structural Information

Molecular Formula

C₁₆H₂₇NO₂

SMILES

CCN(CC)CCOC1=CC=CC=C1OCC(C)C

InChI

InChI=1S/C16H27NO2/c1-5-17(6-2)11-12-18-15-9-7-8-10-16(15)19-13-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3

InChIKey

BEZSPGRAGVCHQN-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[2-(2-methylpropoxy)phenoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 265.2042 Da
Monoisotopic Mass: 3.8
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]+	266.21148	165.9
[M+Na]+	288.19342	176.4
[M+NH4]+	283.23802	173.4
[M+K]+	304.16736	169.6
[M-H]-	264.19692	168.4
[M+Na-2H]-	286.17887	171.2
[M]+	265.20365	168.0
[M]-	265.20475	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe