CID 41106

54490-81-2

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CC(C(C1=CC=CC=C1)O)NCC2=CC=CC=C2

InChI

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

InChIKey

BBPJQQNUQARKLX-UHFFFAOYSA-N

Compound name

2-(benzylamino)-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 241.14667 Da
Monoisotopic Mass: 2.4
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	157.1
[M+Na]+	264.135888	160.9
[M-H]-	240.139394	161.7
[M+NH4]+	259.180493	172.9
[M+K]+	280.109828	157.1
[M+H-H2O]+	224.143930	149.4
[M+HCOO]-	286.144871	178.5
[M+CH3COO]-	300.160521	194.1
[M+Na-2H]-	262.121336	161.5
[M]+	241.14612142	154.4
[M]-	241.14721858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe