CID 357710

2-(benzyloxy)-1-phenylethan-1-amine

Structural Information

Molecular Formula

C₁₅H₁₇NO

SMILES

C1=CC=C(C=C1)COCC(C2=CC=CC=C2)N

InChI

InChI=1S/C15H17NO/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10,15H,11-12,16H2

InChIKey

ZMNPFYANVKDFQC-UHFFFAOYSA-N

Compound name

1-phenyl-2-phenylmethoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 227.13101 Da
Monoisotopic Mass: 2.2
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]+	228.138286	152.5
[M+Na]+	250.120228	157.5
[M-H]-	226.123734	158.0
[M+NH4]+	245.164833	169.4
[M+K]+	266.094168	153.9
[M+H-H2O]+	210.128270	144.6
[M+HCOO]-	272.129211	176.2
[M+CH3COO]-	286.144861	192.1
[M+Na-2H]-	248.105676	158.1
[M]+	227.13046142	150.9
[M]-	227.13155858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe