CID 79320698

4-(3,4-dichlorophenyl)-3-methylpiperidine

Structural Information

Molecular Formula
C12H15Cl2N
SMILES
CC1CNCCC1C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H15Cl2N/c1-8-7-15-5-4-10(8)9-2-3-11(13)12(14)6-9/h2-3,6,8,10,15H,4-5,7H2,1H3
InChIKey
XYBUHZMCEVXRKD-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-3-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05815 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06543 152.4
[M+Na]+ 266.04737 160.3
[M-H]- 242.05087 155.0
[M+NH4]+ 261.09197 169.3
[M+K]+ 282.02131 153.4
[M+H-H2O]+ 226.05541 146.4
[M+HCOO]- 288.05635 160.5
[M+CH3COO]- 302.07200 163.2
[M+Na-2H]- 264.03282 154.5
[M]+ 243.05760 149.4
[M]- 243.05870 149.4
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.