CID 54595440

Benzyl 2-(chloromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H18ClNO2
SMILES
C1CCN(C(C1)CCl)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H18ClNO2/c15-10-13-8-4-5-9-16(13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2
InChIKey
HQOATBDYNXZHJN-UHFFFAOYSA-N
Compound name
benzyl 2-(chloromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1026 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10988 160.7
[M+Na]+ 290.09182 165.9
[M-H]- 266.09532 164.7
[M+NH4]+ 285.13642 176.2
[M+K]+ 306.06576 161.7
[M+H-H2O]+ 250.09986 152.9
[M+HCOO]- 312.10080 174.4
[M+CH3COO]- 326.11645 193.3
[M+Na-2H]- 288.07727 163.3
[M]+ 267.10205 159.8
[M]- 267.10315 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.