CID 6429430

4-ethenyl-n,n-diethylaniline

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

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

InChI

InChI=1S/C12H17N/c1-4-11-7-9-12(10-8-11)13(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3

InChIKey

CBZMQWPBAUBAPO-UHFFFAOYSA-N

Compound name

4-ethenyl-N,N-diethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1131
Patents: 175.1361 Da
Monoisotopic Mass: 4.0
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]+	176.143376	139.8
[M+Na]+	198.125318	146.5
[M-H]-	174.128824	144.7
[M+NH4]+	193.169923	160.7
[M+K]+	214.099258	144.7
[M+H-H2O]+	158.133360	133.5
[M+HCOO]-	220.134301	165.2
[M+CH3COO]-	234.149951	189.1
[M+Na-2H]-	196.110766	145.4
[M]+	175.13555142	141.0
[M]-	175.13664858	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe