CID 40791

17471-10-2

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3

InChIKey

AGSLYHYWLYGAOU-UHFFFAOYSA-N

Compound name

2-benzhydryloxy-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 44
Patents: 241.14667 Da
Monoisotopic Mass: 2.8
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]+	242.153946	156.5
[M+Na]+	264.135888	161.1
[M-H]-	240.139394	162.4
[M+NH4]+	259.180493	173.1
[M+K]+	280.109828	157.6
[M+H-H2O]+	224.143930	148.4
[M+HCOO]-	286.144871	180.5
[M+CH3COO]-	300.160521	195.8
[M+Na-2H]-	262.121336	162.7
[M]+	241.14612142	156.3
[M]-	241.14721858	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe