CID 22031

Pentorex

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

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

InChI

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

InChIKey

UMWAUEZOGHNSCH-UHFFFAOYSA-N

Compound name

2-methyl-3-phenylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2071
Patents: 163.1361 Da
Monoisotopic Mass: 2.2
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	137.8
[M+Na]+	186.12532	143.7
[M-H]-	162.12882	140.8
[M+NH4]+	181.16992	158.1
[M+K]+	202.09926	141.9
[M+H-H2O]+	146.13336	132.4
[M+HCOO]-	208.13430	159.6
[M+CH3COO]-	222.14995	182.7
[M+Na-2H]-	184.11077	143.6
[M]+	163.13555	135.6
[M]-	163.13665	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe