CID 140275

Benzenepentanamine

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

C1=CC=C(C=C1)CCCCCN

InChI

InChI=1S/C11H17N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,12H2

InChIKey

CGNLNKFBSBFJHY-UHFFFAOYSA-N

Compound name

5-phenylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 802
Patents: 163.1361 Da
Monoisotopic Mass: 2.5
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]+	164.14338	137.4
[M+Na]+	186.12532	143.2
[M-H]-	162.12882	140.0
[M+NH4]+	181.16992	157.6
[M+K]+	202.09926	140.4
[M+H-H2O]+	146.13336	131.2
[M+HCOO]-	208.13430	161.8
[M+CH3COO]-	222.14995	181.6
[M+Na-2H]-	184.11077	143.9
[M]+	163.13555	136.3
[M]-	163.13665	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe