CID 2733823

(r)-(+)-n-allyl-alpha-methylbenzylamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C[C@H](C1=CC=CC=C1)NCC=C

InChI

InChI=1S/C11H15N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3/t10-/m1/s1

InChIKey

GGNXWCWCESEPFK-SNVBAGLBSA-N

Compound name

N-[(1R)-1-phenylethyl]prop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 161.12045 Da
Monoisotopic Mass: 2.3
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