CID 3015378

P-diethylaminoethylstyrene

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CCN(CC)CCC1=CC=C(C=C1)C=C

InChI

InChI=1S/C14H21N/c1-4-13-7-9-14(10-8-13)11-12-15(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3

InChIKey

BIOCRZSYHQYVSG-UHFFFAOYSA-N

Compound name

2-(4-ethenylphenyl)-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2872
Patents: 203.1674 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]+	204.174676	149.2
[M+Na]+	226.156618	155.1
[M-H]-	202.160124	153.7
[M+NH4]+	221.201223	169.0
[M+K]+	242.130558	152.7
[M+H-H2O]+	186.164660	142.5
[M+HCOO]-	248.165601	173.9
[M+CH3COO]-	262.181251	195.1
[M+Na-2H]-	224.142066	153.6
[M]+	203.16685142	151.2
[M]-	203.16794858	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe