CID 55014762

2-(benzyloxy)-2-(4-chlorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C15H16ClNO
SMILES
C1=CC=C(C=C1)COC(CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H16ClNO/c16-14-8-6-13(7-9-14)15(10-17)18-11-12-4-2-1-3-5-12/h1-9,15H,10-11,17H2
InChIKey
WAVNJCYHNSLOSR-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-phenylmethoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.09204 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.099316 159.1
[M+Na]+ 284.081258 165.9
[M-H]- 260.084764 164.8
[M+NH4]+ 279.125863 175.9
[M+K]+ 300.055198 160.4
[M+H-H2O]+ 244.089300 152.2
[M+HCOO]- 306.090241 178.2
[M+CH3COO]- 320.105891 197.0
[M+Na-2H]- 282.066706 163.5
[M]+ 261.09149142 160.3
[M]- 261.09258858 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.