CID 115420

63957-19-7

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC(CCC1=CC=CC=C1)NC

InChI

InChI=1S/C11H17N/c1-10(12-2)8-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3

InChIKey

PUAUJIPHHQUZGF-UHFFFAOYSA-N

Compound name

N-methyl-4-phenylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
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]+	164.143376	137.7
[M+Na]+	186.125318	143.2
[M-H]-	162.128824	140.9
[M+NH4]+	181.169923	158.1
[M+K]+	202.099258	141.2
[M+H-H2O]+	146.133360	131.6
[M+HCOO]-	208.134301	161.7
[M+CH3COO]-	222.149951	183.1
[M+Na-2H]-	184.110766	143.9
[M]+	163.13555142	137.0
[M]-	163.13664858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe