CID 519956

N-(4-vinylbenzyl)-n,n-dimethylamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CN(C)CC1=CC=C(C=C1)C=C

InChI

InChI=1S/C11H15N/c1-4-10-5-7-11(8-6-10)9-12(2)3/h4-8H,1,9H2,2-3H3

InChIKey

XQBHAZDVLGNSOJ-UHFFFAOYSA-N

Compound name

1-(4-ethenylphenyl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2822
Patents: 161.12045 Da
Monoisotopic Mass: 2.5
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]+	162.12773	135.1
[M+Na]+	184.10967	142.2
[M-H]-	160.11317	140.2
[M+NH4]+	179.15427	156.6
[M+K]+	200.08361	140.7
[M+H-H2O]+	144.11771	129.0
[M+HCOO]-	206.11865	160.8
[M+CH3COO]-	220.13430	186.0
[M+Na-2H]-	182.09512	141.2
[M]+	161.11990	136.0
[M]-	161.12100	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe