CID 204965

17125-21-2

Structural Information

Molecular Formula
C15H16BrN
SMILES
C1=CC=C(C=C1)CNCC(C2=CC=CC=C2)Br
InChI
InChI=1S/C15H16BrN/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2
InChIKey
RQLCFGXVDHZBGR-UHFFFAOYSA-N
Compound name
N-benzyl-2-bromo-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.0466 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05388 160.5
[M+Na]+ 312.03582 168.4
[M-H]- 288.03932 168.7
[M+NH4]+ 307.08042 178.9
[M+K]+ 328.00976 156.2
[M+H-H2O]+ 272.04386 158.9
[M+HCOO]- 334.04480 181.9
[M+CH3COO]- 348.06045 200.0
[M+Na-2H]- 310.02127 167.8
[M]+ 289.04605 177.2
[M]- 289.04715 177.2
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

patents stripe