CID 83242

4-phenylbutylamine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

C1=CC=C(C=C1)CCCCN

InChI

InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2

InChIKey

AGNFWIZBEATIAK-UHFFFAOYSA-N

Compound name

4-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 148
References: 4874
Patents: 149.12045 Da
Monoisotopic Mass: 2.4
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]+	150.127726	132.8
[M+Na]+	172.109668	139.0
[M-H]-	148.113174	135.6
[M+NH4]+	167.154273	153.6
[M+K]+	188.083608	136.4
[M+H-H2O]+	132.117710	126.9
[M+HCOO]-	194.118651	157.5
[M+CH3COO]-	208.134301	178.6
[M+Na-2H]-	170.095116	139.9
[M]+	149.11990142	131.4
[M]-	149.12099858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe