CID 28005

Benzylamine, n-2,3-butadienyl-n-methyl-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

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

InChI

InChI=1S/C12H15N/c1-3-4-10-13(2)11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2H3

InChIKey

PQOJGRQWTLRKFM-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 173.12045 Da
Monoisotopic Mass: 2.0
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]+	174.12773	139.3
[M+Na]+	196.10967	145.4
[M-H]-	172.11317	143.8
[M+NH4]+	191.15427	159.9
[M+K]+	212.08361	142.9
[M+H-H2O]+	156.11771	132.8
[M+HCOO]-	218.11865	164.8
[M+CH3COO]-	232.13430	186.4
[M+Na-2H]-	194.09512	145.5
[M]+	173.11990	139.3
[M]-	173.12100	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe