CID 3063930

2-furanethylamine, n-benzyl-n,2-dimethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₉NO

SMILES

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

InChI

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

InChIKey

HQVNYRCYHRYKED-UHFFFAOYSA-N

Compound name

N-benzyl-N-methyl-2-(5-methylfuran-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
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	154.3
[M+Na]+	252.135888	160.8
[M-H]-	228.139394	162.9
[M+NH4]+	247.180493	173.2
[M+K]+	268.109828	159.6
[M+H-H2O]+	212.143930	147.0
[M+HCOO]-	274.144871	180.0
[M+CH3COO]-	288.160521	196.4
[M+Na-2H]-	250.121336	159.0
[M]+	229.14612142	157.5
[M]-	229.14721858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.