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]+	242.15395	156.5
[M+Na]+	264.13589	161.1
[M-H]-	240.13939	162.4
[M+NH4]+	259.18049	173.1
[M+K]+	280.10983	157.6
[M+H-H2O]+	224.14393	148.4
[M+HCOO]-	286.14487	180.5
[M+CH3COO]-	300.16052	195.8
[M+Na-2H]-	262.12134	162.7
[M]+	241.14612	156.3
[M]-	241.14722	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe