CID 3046456

62114-70-9

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]+ 224.12006 150.7
[M+Na]+ 246.10200 157.3
[M-H]- 222.10550 155.0
[M+NH4]+ 241.14660 168.4
[M+K]+ 262.07594 152.3
[M+H-H2O]+ 206.11004 143.4
[M+HCOO]- 268.11098 165.1
[M+CH3COO]- 282.12663 188.7
[M+Na-2H]- 244.08745 154.3
[M]+ 223.11223 148.3
[M]- 223.11333 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.