CID 63156611

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
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 150.9
[M+Na]+ 276.03584 159.8
[M-H]- 252.03934 156.9
[M+NH4]+ 271.08044 171.3
[M+K]+ 292.00978 148.0
[M+H-H2O]+ 236.04388 150.8
[M+HCOO]- 298.04482 166.8
[M+CH3COO]- 312.06047 164.0
[M+Na-2H]- 274.02129 157.8
[M]+ 253.04607 163.6
[M]- 253.04717 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

patents stripe