CID 211862

23656-75-9

Structural Information

Molecular Formula

C₁₅H₁₉NO

SMILES

CC1=CC=C(O1)CNC(C)CC2=CC=CC=C2

InChI

InChI=1S/C15H19NO/c1-12(10-14-6-4-3-5-7-14)16-11-15-9-8-13(2)17-15/h3-9,12,16H,10-11H2,1-2H3

InChIKey

XJDMKPUUJXVUSW-UHFFFAOYSA-N

Compound name

N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 229.14667 Da
Monoisotopic Mass: 3.2
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]+	230.153946	154.6
[M+Na]+	252.135888	160.6
[M-H]-	228.139394	161.8
[M+NH4]+	247.180493	172.7
[M+K]+	268.109828	158.5
[M+H-H2O]+	212.143930	147.5
[M+HCOO]-	274.144871	178.8
[M+CH3COO]-	288.160521	193.7
[M+Na-2H]-	250.121336	158.9
[M]+	229.14612142	155.9
[M]-	229.14721858	155.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.