CID 209841

2-phenylbutan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCC(CN)C1=CC=CC=C1

InChI

InChI=1S/C10H15N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3

InChIKey

PLWALTDUYKDGRF-UHFFFAOYSA-N

Compound name

2-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 468
Patents: 149.12045 Da
Monoisotopic Mass: 1.9
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]+	150.12773	133.5
[M+Na]+	172.10967	145.4
[M+NH4]+	167.15427	142.8
[M+K]+	188.08361	138.4
[M-H]-	148.11317	136.8
[M+Na-2H]-	170.09512	140.9
[M]+	149.11990	136.0
[M]-	149.12100	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe