CID 521150

N-allylbenzylamine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C=CCNCC1=CC=CC=C1

InChI

InChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2

InChIKey

RHUCQDQRNUUMKY-UHFFFAOYSA-N

Compound name

N-benzylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2119
Patents: 147.1048 Da
Monoisotopic Mass: 2.2
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]+	148.112076	131.0
[M+Na]+	170.094018	137.5
[M-H]-	146.097524	134.3
[M+NH4]+	165.138623	152.0
[M+K]+	186.067958	134.7
[M+H-H2O]+	130.102060	125.1
[M+HCOO]-	192.103001	156.5
[M+CH3COO]-	206.118651	178.3
[M+Na-2H]-	168.079466	139.1
[M]+	147.10425142	129.9
[M]-	147.10534858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe