CID 24841309

104177-98-2

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CCC(C1=CC=CC=C1)C(C)N

InChI

InChI=1S/C11H17N/c1-3-11(9(2)12)10-7-5-4-6-8-10/h4-9,11H,3,12H2,1-2H3

InChIKey

WRGJOKNIPZFMKU-UHFFFAOYSA-N

Compound name

3-phenylpentan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.1361 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]+	164.14338	138.8
[M+Na]+	186.12532	144.0
[M-H]-	162.12882	141.6
[M+NH4]+	181.16992	158.9
[M+K]+	202.09926	142.2
[M+H-H2O]+	146.13336	132.8
[M+HCOO]-	208.13430	161.1
[M+CH3COO]-	222.14995	183.3
[M+Na-2H]-	184.11077	142.7
[M]+	163.13555	136.4
[M]-	163.13665	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe