CID 736490

122860-33-7

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CN(CCC1CO)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKey
LINIORCIRVAZSM-UHFFFAOYSA-N
Compound name
benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

390
Patents

249.13649 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.8
[M+Na]+ 272.12571 169.9
[M+NH4]+ 267.17031 166.0
[M+K]+ 288.09965 163.7
[M-H]- 248.12921 161.0
[M+Na-2H]- 270.11116 164.6
[M]+ 249.13594 160.7
[M]- 249.13704 160.7
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

patents stripe