CID 3046456

2-(chloromethyl)-1-methyl-4-phenylpiperidine

Structural Information

Molecular Formula
C13H18ClN
SMILES
CN1CCC(CC1CCl)C2=CC=CC=C2
InChI
InChI=1S/C13H18ClN/c1-15-8-7-12(9-13(15)10-14)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKey
MXUBLEIUPVLHBK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-methyl-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.120056 150.7
[M+Na]+ 246.101998 157.3
[M-H]- 222.105504 155.0
[M+NH4]+ 241.146603 168.4
[M+K]+ 262.075938 152.3
[M+H-H2O]+ 206.110040 143.4
[M+HCOO]- 268.110981 165.1
[M+CH3COO]- 282.126631 188.7
[M+Na-2H]- 244.087446 154.3
[M]+ 223.11223142 148.3
[M]- 223.11332858 148.3
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.