CID 3542547

Vinylbenzyldimethylamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

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

InChI

InChI=1S/C11H15N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3

InChIKey

DZRKBPWATCKLKY-UHFFFAOYSA-N

Compound name

N-benzyl-N-methylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2183
Patents: 161.12045 Da
Monoisotopic Mass: 2.6
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]+	162.127726	135.8
[M+Na]+	184.109668	142.0
[M-H]-	160.113174	140.5
[M+NH4]+	179.154273	156.9
[M+K]+	200.083608	140.4
[M+H-H2O]+	144.117710	129.5
[M+HCOO]-	206.118651	161.5
[M+CH3COO]-	220.134301	184.9
[M+Na-2H]-	182.095116	142.6
[M]+	161.11990142	136.3
[M]-	161.12099858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe