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]+ 262.09932 159.1
[M+Na]+ 284.08126 165.9
[M-H]- 260.08476 164.8
[M+NH4]+ 279.12586 175.9
[M+K]+ 300.05520 160.4
[M+H-H2O]+ 244.08930 152.2
[M+HCOO]- 306.09024 178.2
[M+CH3COO]- 320.10589 197.0
[M+Na-2H]- 282.06671 163.5
[M]+ 261.09149 160.3
[M]- 261.09259 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.