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

19
Patents

209.09712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10440 146.6
[M+Na]+ 232.08634 152.3
[M-H]- 208.08984 149.3
[M+NH4]+ 227.13094 163.9
[M+K]+ 248.06028 146.6
[M+H-H2O]+ 192.09438 139.7
[M+HCOO]- 254.09532 159.8
[M+CH3COO]- 268.11097 157.5
[M+Na-2H]- 230.07179 151.0
[M]+ 209.09657 141.7
[M]- 209.09767 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