CID 63156341

4-(3-bromophenyl)-4-methylpiperidine hydrochloride

Structural Information

Molecular Formula
C12H16BrN
SMILES
CC1(CCNCC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H16BrN/c1-12(5-7-14-8-6-12)10-3-2-4-11(13)9-10/h2-4,9,14H,5-8H2,1H3
InChIKey
PEAKDUGSNWJNOK-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.053896 150.9
[M+Na]+ 276.035838 159.8
[M-H]- 252.039344 156.9
[M+NH4]+ 271.080443 171.3
[M+K]+ 292.009778 148.0
[M+H-H2O]+ 236.043880 150.8
[M+HCOO]- 298.044821 166.8
[M+CH3COO]- 312.060471 164.0
[M+Na-2H]- 274.021286 157.8
[M]+ 253.04607142 163.6
[M]- 253.04716858 163.6
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.