CID 2449444

(s)-1-phenylbutylamine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCC[C@@H](C1=CC=CC=C1)N

InChI

InChI=1S/C10H15N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,11H2,1H3/t10-/m0/s1

InChIKey

XHOXKVFLASIOJD-JTQLQIEISA-N

Compound name

(1S)-1-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1474
Patents: 149.12045 Da
Monoisotopic Mass: 2.1
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