CID 6445379

1-(4-(o-bromophenyl)-2-butenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C15H20BrN
SMILES
C1CCN(CC1)C/C=C/CC2=CC=CC=C2Br
InChI
InChI=1S/C15H20BrN/c16-15-10-3-2-8-14(15)9-4-7-13-17-11-5-1-6-12-17/h2-4,7-8,10H,1,5-6,9,11-13H2/b7-4+
InChIKey
RIXDLLLTIVUYNB-QPJJXVBHSA-N
Compound name
1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0779 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08518 163.5
[M+Na]+ 316.06712 171.1
[M-H]- 292.07062 169.8
[M+NH4]+ 311.11172 181.1
[M+K]+ 332.04106 158.6
[M+H-H2O]+ 276.07516 162.0
[M+HCOO]- 338.07610 180.0
[M+CH3COO]- 352.09175 197.8
[M+Na-2H]- 314.05257 168.2
[M]+ 293.07735 177.7
[M]- 293.07845 177.7
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.