CID 84688935

4-[(5-chloro-2-methylphenyl)methyl]piperidine hydrochloride

Structural Information

Molecular Formula
C13H18ClN
SMILES
CC1=C(C=C(C=C1)Cl)CC2CCNCC2
InChI
InChI=1S/C13H18ClN/c1-10-2-3-13(14)9-12(10)8-11-4-6-15-7-5-11/h2-3,9,11,15H,4-8H2,1H3
InChIKey
QZDKWKWQNCCRPP-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-methylphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11278 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 151.1
[M+Na]+ 246.10200 157.3
[M-H]- 222.10550 154.0
[M+NH4]+ 241.14660 168.1
[M+K]+ 262.07594 151.4
[M+H-H2O]+ 206.11004 144.2
[M+HCOO]- 268.11098 164.0
[M+CH3COO]- 282.12663 186.1
[M+Na-2H]- 244.08745 154.3
[M]+ 223.11223 146.9
[M]- 223.11333 146.9
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.