CID 13788484

52853-55-1

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC(=C)CNCC1=CC=CC=C1

InChI

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

InChIKey

NDKYBYPWDCWAOD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
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]+	162.12773	137.2
[M+Na]+	184.10967	149.3
[M+NH4]+	179.15427	146.3
[M+K]+	200.08361	141.7
[M-H]-	160.11317	140.4
[M+Na-2H]-	182.09512	144.7
[M]+	161.11990	139.8
[M]-	161.12100	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe