CID 16495052

1-[(2-bromophenyl)methyl]piperidine

Structural Information

Molecular Formula
C12H16BrN
SMILES
C1CCN(CC1)CC2=CC=CC=C2Br
InChI
InChI=1S/C12H16BrN/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChIKey
YHPWAILJEPQMRO-UHFFFAOYSA-N
Compound name
1-[(2-bromophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

253.04662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05390 151.2
[M+Na]+ 276.03584 159.6
[M-H]- 252.03934 158.0
[M+NH4]+ 271.08044 170.3
[M+K]+ 292.00978 148.4
[M+H-H2O]+ 236.04388 150.2
[M+HCOO]- 298.04482 168.4
[M+CH3COO]- 312.06047 190.8
[M+Na-2H]- 274.02129 157.5
[M]+ 253.04607 165.2
[M]- 253.04717 165.2
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