CID 11147743

2-phenylprop-2-en-1-amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

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

InChI

InChI=1S/C9H11N/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1,7,10H2

InChIKey

OWCNPQKNIWRGLI-UHFFFAOYSA-N

Compound name

2-phenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 527
Patents: 133.08914 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]+	134.09642	128.2
[M+Na]+	156.07836	140.4
[M+NH4]+	151.12296	137.5
[M+K]+	172.05230	133.6
[M-H]-	132.08186	131.3
[M+Na-2H]-	154.06381	135.8
[M]+	133.08859	130.7
[M]-	133.08969	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe