CID 3746536

3-[(4-chlorophenyl)methyl]piperidine

Structural Information

Molecular Formula
C12H16ClN
SMILES
C1CC(CNC1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2
InChIKey
VEVHEHZAQHSNBX-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

209.09712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.104396 146.6
[M+Na]+ 232.086338 152.3
[M-H]- 208.089844 149.3
[M+NH4]+ 227.130943 163.9
[M+K]+ 248.060278 146.6
[M+H-H2O]+ 192.094380 139.7
[M+HCOO]- 254.095321 159.8
[M+CH3COO]- 268.110971 157.5
[M+Na-2H]- 230.071786 151.0
[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

patents stripe