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 165.0
[M+Na]+ 326.05148 173.3
[M-H]- 302.05498 173.3
[M+NH4]+ 321.09608 183.1
[M+K]+ 342.02542 160.9
[M+H-H2O]+ 286.05952 163.3
[M+HCOO]- 348.06046 186.0
[M+CH3COO]- 362.07611 203.9
[M+Na-2H]- 324.03693 171.0
[M]+ 303.06171 182.4
[M]- 303.06281 182.4
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.