CID 63156453

4-(3-chlorophenyl)-4-methylpiperidine hydrochloride

Structural Information

Molecular Formula
C12H16ClN
SMILES
CC1(CCNCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H16ClN/c1-12(5-7-14-8-6-12)10-3-2-4-11(13)9-10/h2-4,9,14H,5-8H2,1H3
InChIKey
YMOUAAPMHJPNDO-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.104396 146.3
[M+Na]+ 232.086338 153.0
[M-H]- 208.089844 149.5
[M+NH4]+ 227.130943 165.7
[M+K]+ 248.060278 147.6
[M+H-H2O]+ 192.094380 140.0
[M+HCOO]- 254.095321 159.7
[M+CH3COO]- 268.110971 157.8
[M+Na-2H]- 230.071786 151.8
[M]+ 209.09657142 141.7
[M]- 209.09766858 141.7
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.