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

16
Patents

223.11278 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.120056 150.8
[M+Na]+ 246.101998 156.5
[M-H]- 222.105504 154.7
[M+NH4]+ 241.146603 168.2
[M+K]+ 262.075938 151.4
[M+H-H2O]+ 206.110040 143.3
[M+HCOO]- 268.110981 165.2
[M+CH3COO]- 282.126631 187.6
[M+Na-2H]- 244.087446 155.1
[M]+ 223.11223142 148.1
[M]- 223.11332858 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