CID 71646574

Benzyl 4-(2-chloroethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
C1CN(CCC1CCCl)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H20ClNO2/c16-9-6-13-7-10-17(11-8-13)15(18)19-12-14-4-2-1-3-5-14/h1-5,13H,6-12H2
InChIKey
IMSGEEGSMIXADG-UHFFFAOYSA-N
Compound name
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11826 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 165.2
[M+Na]+ 304.10748 170.0
[M-H]- 280.11098 169.0
[M+NH4]+ 299.15208 180.2
[M+K]+ 320.08142 165.6
[M+H-H2O]+ 264.11552 157.2
[M+HCOO]- 326.11646 178.7
[M+CH3COO]- 340.13211 196.2
[M+Na-2H]- 302.09293 167.3
[M]+ 281.11771 164.7
[M]- 281.11881 164.7
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.