CID 33467

Brn 2441701

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CN(C)CCOCCC1=CC=CC=C1

InChI

InChI=1S/C12H19NO/c1-13(2)9-11-14-10-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3

InChIKey

ARQMQLLCBSZJML-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(2-phenylethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.14667 Da
Monoisotopic Mass: 2.1
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]+	194.15395	145.3
[M+Na]+	216.13589	150.7
[M-H]-	192.13939	149.7
[M+NH4]+	211.18049	165.2
[M+K]+	232.10983	149.9
[M+H-H2O]+	176.14393	138.4
[M+HCOO]-	238.14487	170.7
[M+CH3COO]-	252.16052	190.8
[M+Na-2H]-	214.12134	151.4
[M]+	193.14612	148.3
[M]-	193.14722	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe