CID 16495046

1-{[4-(chloromethyl)phenyl]methyl}piperidine hydrochloride

Structural Information

Molecular Formula
C13H18ClN
SMILES
C1CCN(CC1)CC2=CC=C(C=C2)CCl
InChI
InChI=1S/C13H18ClN/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKey
TVYZBGJOXKGPAN-UHFFFAOYSA-N
Compound name
1-[[4-(chloromethyl)phenyl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

223.11278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 150.8
[M+Na]+ 246.10200 156.5
[M-H]- 222.10550 154.7
[M+NH4]+ 241.14660 168.2
[M+K]+ 262.07594 151.4
[M+H-H2O]+ 206.11004 143.3
[M+HCOO]- 268.11098 165.2
[M+CH3COO]- 282.12663 187.6
[M+Na-2H]- 244.08745 155.1
[M]+ 223.11223 148.1
[M]- 223.11333 148.1
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