CID 63085861

2-[(3-bromophenyl)methyl]piperidine

Structural Information

Molecular Formula
C12H16BrN
SMILES
C1CCNC(C1)CC2=CC(=CC=C2)Br
InChI
InChI=1S/C12H16BrN/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-14-12/h3-5,8,12,14H,1-2,6-7,9H2
InChIKey
MFHJYWWTKDBKNH-UHFFFAOYSA-N
Compound name
2-[(3-bromophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

253.04662 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05390 152.0
[M+Na]+ 276.03584 160.0
[M-H]- 252.03934 157.5
[M+NH4]+ 271.08044 170.4
[M+K]+ 292.00978 147.8
[M+H-H2O]+ 236.04388 151.2
[M+HCOO]- 298.04482 167.8
[M+CH3COO]- 312.06047 164.5
[M+Na-2H]- 274.02129 157.8
[M]+ 253.04607 164.2
[M]- 253.04717 164.2
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