CID 203658

(+)-n-(p-bromobenzyl)-alpha-methylphenethylamine hydrochloride

Structural Information

Molecular Formula
C16H18BrN
SMILES
CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H18BrN/c1-13(11-14-5-3-2-4-6-14)18-12-15-7-9-16(17)10-8-15/h2-10,13,18H,11-12H2,1H3
InChIKey
ICKJOPGNXJUVSZ-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.06226 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06954 162.3
[M+Na]+ 326.05148 166.8
[M+NH4]+ 321.09608 168.0
[M+K]+ 342.02542 164.3
[M-H]- 302.05498 166.2
[M+Na-2H]- 324.03693 168.6
[M]+ 303.06171 163.0
[M]- 303.06281 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.